Isotopically Labeled Compounds
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Cyclohexane-d12, for NMR, 99.5 atom % D, Thermo Scientific™
CAS: 1735-17-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 96.24 MDL Number: 00044212 InChI Key: XDTMQSROBMDMFD-LBTWDOQPSA-N IUPAC Name: (²H₁₂)cyclohexane SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
| CAS | 1735-17-7 |
|---|---|
| Molecular Weight (g/mol) | 96.24 |
| MDL Number | 00044212 |
| SMILES | [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H] |
| IUPAC Name | (²H₁₂)cyclohexane |
| InChI Key | XDTMQSROBMDMFD-LBTWDOQPSA-N |
| Molecular Formula | C6H12 |
Cyclohexane-d{12}, 99.5%(Isotopic)
CAS: 1735-17-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 96.24 MDL Number: MFCD00044212 InChI Key: XDTMQSROBMDMFD-LBTWDOQPSA-N Synonym: cyclohexane-d12,2h12 cyclohexane,cyclohexane d,cyclohexane, d12,2 h?? cyclohexane,cyclohexane-d12, ≥99.6 atom % d,cyclohexane #,cyclohexane-d12, 99.5 atom % d PubChem CID: 123129 SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
| PubChem CID | 123129 |
|---|---|
| CAS | 1735-17-7 |
| Molecular Weight (g/mol) | 96.24 |
| MDL Number | MFCD00044212 |
| SMILES | [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H] |
| Synonym | cyclohexane-d12,2h12 cyclohexane,cyclohexane d,cyclohexane, d12,2 h?? cyclohexane,cyclohexane-d12, ≥99.6 atom % d,cyclohexane #,cyclohexane-d12, 99.5 atom % d |
| InChI Key | XDTMQSROBMDMFD-LBTWDOQPSA-N |
| Molecular Formula | C6H12 |
Acetone-d{6}, 99.9% (Isotopic)
CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C
| PubChem CID | 522220 |
|---|---|
| CAS | 666-52-4 |
| Molecular Weight (g/mol) | 64.117 |
| ChEBI | CHEBI:78217 |
| MDL Number | MFCD00044635 |
| SMILES | CC(=O)C |
| Synonym | acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone |
| IUPAC Name | 1,1,1,3,3,3-hexadeuteriopropan-2-one |
| InChI Key | CSCPPACGZOOCGX-WFGJKAKNSA-N |
| Molecular Formula | C3H6O |
Acetone-d{6}, 99.9% (Isotopic), contains 1% v/v TMS
CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C
| PubChem CID | 522220 |
|---|---|
| CAS | 666-52-4 |
| Molecular Weight (g/mol) | 64.117 |
| ChEBI | CHEBI:78217 |
| MDL Number | MFCD00044635 |
| SMILES | CC(=O)C |
| Synonym | acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone |
| IUPAC Name | 1,1,1,3,3,3-hexadeuteriopropan-2-one |
| InChI Key | CSCPPACGZOOCGX-WFGJKAKNSA-N |
| Molecular Formula | C3H6O |
Acetone-d{6}, 100%(Isotopic), contains 0.03% v/v TMS
CAS: 666-52-4 Molecular Formula: C3H6O Molecular Weight (g/mol): 64.117 MDL Number: MFCD00044635 InChI Key: CSCPPACGZOOCGX-WFGJKAKNSA-N Synonym: acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone PubChem CID: 522220 ChEBI: CHEBI:78217 IUPAC Name: 1,1,1,3,3,3-hexadeuteriopropan-2-one SMILES: CC(=O)C
| PubChem CID | 522220 |
|---|---|
| CAS | 666-52-4 |
| Molecular Weight (g/mol) | 64.117 |
| ChEBI | CHEBI:78217 |
| MDL Number | MFCD00044635 |
| SMILES | CC(=O)C |
| Synonym | acetone-d6,2h6 acetone,hexadeuteroacetone,acetone d6,perdeuteroacetone,deuterated acetone,unii-b0n19b53h8,cd3 2co,2-propanone-1,1,1,3,3,3-d6,d6-acetone |
| IUPAC Name | 1,1,1,3,3,3-hexadeuteriopropan-2-one |
| InChI Key | CSCPPACGZOOCGX-WFGJKAKNSA-N |
| Molecular Formula | C3H6O |
Tetrahydrofuran-d{8}, 100%(Isotopic), Thermo Scientific Chemicals
CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.16 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
| PubChem CID | 80290 |
|---|---|
| CAS | 1693-74-9 |
| Molecular Weight (g/mol) | 80.16 |
| MDL Number | MFCD00044238 |
| SMILES | [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H] |
| Synonym | tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 |
| IUPAC Name | 2,2,3,3,4,4,5,5-octadeuteriooxolane |
| InChI Key | WYURNTSHIVDZCO-SVYQBANQSA-N |
| Molecular Formula | C4H8O |
Tetrahydrofuran-d{8}, 99.5% (Isotopic)
CAS: 1693-74-9 Molecular Formula: C4H8O Molecular Weight (g/mol): 80.16 MDL Number: MFCD00044238 InChI Key: WYURNTSHIVDZCO-SVYQBANQSA-N Synonym: tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 PubChem CID: 80290 IUPAC Name: 2,2,3,3,4,4,5,5-octadeuteriooxolane SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
| PubChem CID | 80290 |
|---|---|
| CAS | 1693-74-9 |
| Molecular Weight (g/mol) | 80.16 |
| MDL Number | MFCD00044238 |
| SMILES | [2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H] |
| Synonym | tetrahydrofuran-d8,deuterated thf,octadeuterotetrahydrofuran,deuterated tetrahydrofuran,tetrahydrofuran-d8 thf-d8,tetrahydrofuran-d8, ≥99.5 atom % d,2h4 tetrahydro 2h4 furan,thf-d8,2h8 tetrahydrofuran,furan-d4-, tetrahydro-d4 |
| IUPAC Name | 2,2,3,3,4,4,5,5-octadeuteriooxolane |
| InChI Key | WYURNTSHIVDZCO-SVYQBANQSA-N |
| Molecular Formula | C4H8O |
Acetic acid-d{4}, 99.5% (Isotopic)
CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N Synonym: acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d PubChem CID: 2723903 SMILES: [2H]OC(=O)C([2H])([2H])[2H]
| PubChem CID | 2723903 |
|---|---|
| CAS | 1186-52-3 |
| Molecular Weight (g/mol) | 64.08 |
| MDL Number | MFCD00051051 |
| SMILES | [2H]OC(=O)C([2H])([2H])[2H] |
| Synonym | acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d |
| InChI Key | QTBSBXVTEAMEQO-GUEYOVJQSA-N |
| Molecular Formula | C2H4O2 |
Medchemexpress LLC Valproic acid-d4 10mg | 87745-17-3 | 10MG
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Valproic acid-d4 is the deuterium labeled Valproic acid Valproic acid (VPA 2-Propylpentanoic Acid) is an HDAC inhibitor with IC50 in the range of 0 5 and 2 mM also inhibits HDAC1 (IC50 400 M) and induces proteasomal degradation of HDAC2 Valproic acid activates Notch1 signaling and inhibits proliferation in small cell lung cancer (SCLC) cells Valproic acid sodium salt is used in the treatment of epilepsy bipolar disorder and prevention of migraine headaches[1 [2
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Medchemexpress LLC Amisulpride-d5 | 1216626-17-3 | 98.8% | C17H22D5N3O4S | 10MG
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Amisulpride-d5 is the deuterium-labeled analogue of amisulpride used as a tracer and internal standard for quantitative analysis by NMR, GC-MS, and LC-MS. Supplied as a high-purity deuterated solid, it is intended for analytical and research applications where accurate quantitation is required.
- Deuterium-labeled internal standard for mass spectrometry and NMR.
- High deuteration purity (≈98.8%) for reliable quantitation.
- Suitable as tracer and internal standard in bioanalytical assays.
- Supplied as a 10 mg solid for small-scale analyses.
- Molecular formula C17H22D5N3O4S; molecular weight 374.51 g/mol.
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Medchemexpress LLC Amisulpride-d5 | 1216626-17-3 | 98.27% | C17H22D5N3O4S | 1 MG
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Amisulpride-d5 is the deuterium-labeled form of Amisulpride, a dopamine D2/D3 receptor antagonist. It has Ki values of 2.8 nM for human dopamine D2 and 3.2 nM for human dopamine D3. This product is suitable for research applications, including use as a tracer and an internal standard for quantitative analysis.
- Deuterium labeled
- Dopamine D2/D3 receptor antagonist
- High purity: 98.27%
- Appearance: solid, white to off-white
- Can be used as a tracer
- Suitable as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS
- Valuable for pharmacokinetic and metabolic studies
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Medchemexpress LLC Trametinib-d4 | 871700-17-3 | 99.87% | 619.42 | 1 MG
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This product is a stable isotope-labeled compound, specifically a deuterium-labeled version of a MEK inhibitor. It is an orally active inhibitor that targets MEK1 and MEK2, demonstrating activity at very low concentrations. The compound is noted for its ability to activate autophagy and induce apoptosis. It is intended for research use only and not for human therapeutic applications.
- Features
- Deuterium labeled compound.
- Targets MEK1 and MEK2 with high potency.
- Activates autophagy.
- Induces apoptosis.
- Oral activity.
- Benefits
- Can be used as a tracer in research.
- Serves as an internal standard for quantitative analysis using techniques like NMR, GC-MS, or LC-MS.
- Deuterium substitution may influence pharmacokinetic and metabolic profiles of drugs.
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Medchemexpress LLC Trametinib-d4 | 871700-17-3 | 99.9% | 619.42 | 25 MG
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Trametinib-d4 is the deuterium-labeled version of Trametinib. Trametinib is an orally active MEK inhibitor that inhibits MEK1 and MEK2 with IC50s of approximately 2 nM. It also activates autophagy and induces apoptosis.
- Can be used as a tracer
- Can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS
- Deuterium substitution has the potential to impact the pharmacokinetic and metabolic profiles of drugs
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Medchemexpress LLC Trametinib-d4 | 871700-17-3 | 99.9% | 619.42 | 1 MG
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Trametinib-d4 is the deuterium labeled Trametinib. Trametinib is an orally active MEK inhibitor that inhibits MEK1 and MEK2 with IC50s of about 2 nM. It activates autophagy and induces apoptosis.
- Can be used as a tracer.
- Can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
- Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules for quantitation.
- Deuteration can affect the pharmacokinetic and metabolic profiles of drugs.
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Medchemexpress LLC Amisulpride-d5 | 1216626-17-3 | 98.8% | 374.51 | C17H22D5N3O4S | 5 MG
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Amisulpride-d5 is the deuterium-labeled form of amisulpride intended for research use as a tracer or internal standard. It maintains the pharmacological profile as a dopamine D2/D3 receptor antagonist and is provided as a white to off-white solid suitable for quantitative analyses by NMR, GC-MS, or LC-MS.
- Deuterium-labeled for isotope-dilution assays.
- Suitable as an internal standard for NMR, GC-MS, and LC-MS.
- High purity (≈98.8%) appropriate for analytical applications.
- Soluble in DMSO and sparingly soluble in water; ultrasonic assistance recommended.
- Stable as a powder at -20°C for long-term storage.
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