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Phenanthrenes and derivatives

Polycyclic aromatic hydrocarbon compounds that consist of fourteen carbon atoms and ten hydrogen atoms fused into three benzene rings. Includes compounds that are derived from phenanthrenes.
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1

Aristolochic acid I, 96%

CAS: 313-67-7 Molecular Formula: C17H11NO7 Molecular Weight (g/mol): 341.27 MDL Number: MFCD00004996 InChI Key: BBFQZRXNYIEMAW-UHFFFAOYSA-N Synonym: aristolochic acid,aristolochic acid a,aristolochic acid i,aristolochin,tardolyt,birthwort,aristolochic acid-i,aristolochine,aristolochiazaeure,unii-94218wfp5t PubChem CID: 2236 ChEBI: CHEBI:2825 SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

PubChem CID 2236
CAS 313-67-7
Molecular Weight (g/mol) 341.27
ChEBI CHEBI:2825
MDL Number MFCD00004996
SMILES COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
Synonym aristolochic acid,aristolochic acid a,aristolochic acid i,aristolochin,tardolyt,birthwort,aristolochic acid-i,aristolochine,aristolochiazaeure,unii-94218wfp5t
InChI Key BBFQZRXNYIEMAW-UHFFFAOYSA-N
Molecular Formula C17H11NO7
2

Carnosic Acid 97.0+%, TCI America™

CAS: 3650-09-7 Molecular Formula: C20H28O4 Molecular Weight (g/mol): 332.44 MDL Number: MFCD02259459 InChI Key: QRYRORQUOLYVBU-VBKZILBWSA-N Synonym: (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid PubChem CID: 65126 ChEBI: CHEBI:65585 IUPAC Name: (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O

PubChem CID 65126
CAS 3650-09-7
Molecular Weight (g/mol) 332.44
ChEBI CHEBI:65585
MDL Number MFCD02259459
SMILES CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O
Synonym (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid
IUPAC Name (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
InChI Key QRYRORQUOLYVBU-VBKZILBWSA-N
Molecular Formula C20H28O4
3

Carnosic Acid (Synthetic) 97.0+%, TCI America™

CAS: 3650-09-7 Molecular Formula: C20H28O4 Molecular Weight (g/mol): 332.44 MDL Number: MFCD02259459 InChI Key: QRYRORQUOLYVBU-VBKZILBWSA-N Synonym: (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid PubChem CID: 65126 ChEBI: CHEBI:65585 IUPAC Name: (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O

PubChem CID 65126
CAS 3650-09-7
Molecular Weight (g/mol) 332.44
ChEBI CHEBI:65585
MDL Number MFCD02259459
SMILES CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O
Synonym (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid
IUPAC Name (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
InChI Key QRYRORQUOLYVBU-VBKZILBWSA-N
Molecular Formula C20H28O4
4

Pisiferic Acid 98.0+%, TCI America™

CAS: 67494-15-9 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.441 MDL Number: MFCD01708794 InChI Key: ATHWSPHADLLZSS-PXNSSMCTSA-N PubChem CID: 162209 ChEBI: CHEBI:70576 IUPAC Name: (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O

PubChem CID 162209
CAS 67494-15-9
Molecular Weight (g/mol) 316.441
ChEBI CHEBI:70576
MDL Number MFCD01708794
SMILES CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O
IUPAC Name (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
InChI Key ATHWSPHADLLZSS-PXNSSMCTSA-N
Molecular Formula C20H28O3
5

[6,6]-Phenyl-C61-butyric Acid Dodecyl Ester 98.0+%, TCI America™

CAS: 571177-69-0 Molecular Formula: C83H36O2 Synonym: [60]PCB-C12

CAS 571177-69-0
Synonym [60]PCB-C12
Molecular Formula C83H36O2
6

[6,6]-Phenyl-C61-butyric Acid Butyl Ester 98.0+%, TCI America™

CAS: 571177-66-7 Molecular Formula: C75H20O2 MDL Number: MFCD09842755 Synonym: PCBB, [60]PCB-C4

CAS 571177-66-7
MDL Number MFCD09842755
Synonym PCBB, [60]PCB-C4
Molecular Formula C75H20O2
7

Sigma Aldrich 4-Nitro-1H-pyrrole-2-carboxylic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
8

Sodium Abietate 95.0+%, TCI America™

CAS: 14351-66-7 Molecular Formula: C20H29NaO2 Molecular Weight (g/mol): 324.44 MDL Number: MFCD00058941 InChI Key: ITCAUAYQCALGGV-XTICBAGASA-M Synonym: Abietic Acid Sodium Salt PubChem CID: 133121851 IUPAC Name: sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate SMILES: [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C([O-])=O)[C@H]2CC1

PubChem CID 133121851
CAS 14351-66-7
Molecular Weight (g/mol) 324.44
MDL Number MFCD00058941
SMILES [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C([O-])=O)[C@H]2CC1
Synonym Abietic Acid Sodium Salt
IUPAC Name sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
InChI Key ITCAUAYQCALGGV-XTICBAGASA-M
Molecular Formula C20H29NaO2
9

Ethyl Abietate 80.0+%, TCI America™

CAS: 631-71-0 Molecular Formula: C22H34O2 Molecular Weight (g/mol): 330.51 MDL Number: MFCD00028860 InChI Key: AGUBCDYYAKENKG-YVNJGZBMSA-N Synonym: Abietic Acid Ethyl Ester, Ethyl Rosinate, Rosin Acid Ethyl Ester PubChem CID: 53642177 IUPAC Name: ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate SMILES: CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C

PubChem CID 53642177
CAS 631-71-0
Molecular Weight (g/mol) 330.51
MDL Number MFCD00028860
SMILES CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
Synonym Abietic Acid Ethyl Ester, Ethyl Rosinate, Rosin Acid Ethyl Ester
IUPAC Name ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
InChI Key AGUBCDYYAKENKG-YVNJGZBMSA-N
Molecular Formula C22H34O2
10

4,4,5,5-Tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane 97.0+%, TCI America™

CAS: 890042-13-4 Molecular Formula: C24H23BO2 Molecular Weight (g/mol): 354.26 MDL Number: MFCD26401844 InChI Key: VXLBBSLCTFTKOE-UHFFFAOYSA-N Synonym: 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylene, Triphenylen-2-ylboronic Acid Pinacol Ester PubChem CID: 58769449 IUPAC Name: 4,4,5,5-tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1

PubChem CID 58769449
CAS 890042-13-4
Molecular Weight (g/mol) 354.26
MDL Number MFCD26401844
SMILES CC1(C)OB(OC1(C)C)C1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1
Synonym 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylene, Triphenylen-2-ylboronic Acid Pinacol Ester
IUPAC Name 4,4,5,5-tetramethyl-2-(triphenylen-2-yl)-1,3,2-dioxaborolane
InChI Key VXLBBSLCTFTKOE-UHFFFAOYSA-N
Molecular Formula C24H23BO2
11

Selleck Chemical LLC Malonic acid S3029-1g

Malonic acid (MOA) one of the major dicarboxylic acids (DCAs) in aerosols has been identified experimentally and computationally to be a strong acid Malonic acid (MOA) acts as a mediate bridge for the formation of pure SA-A-based clusters

ENCOMPASS_PREFERRED
12

Selleck Chemical LLC Malonic acid S3029-100mg

Malonic acid (MOA) one of the major dicarboxylic acids (DCAs) in aerosols has been identified experimentally and computationally to be a strong acid Malonic acid (MOA) acts as a mediate bridge for the formation of pure SA-A-based clusters

ENCOMPASS_PREFERRED
13

Apexbio Technology LLC Alendronic acid 66376-36-1 200mg
SDP

Alendronic acid is a small-molecule inhibitor targeting farnesyl diphosphate synthase (FDPS) It is designed to inhibit FDPS activity thereby disrupting protein prenylation pathways required for osteoclast functionality and regulating osteoclast-mediated bone resorption Alendronic acid exerts its biological activity primarily through inhibition of FDPS which suppresses osteoclast activity and associated bone mineral degradation Based on these pharmacological properties alendronic acid holds research potential in the investigation of bone remodeling mechanisms particularly in the contexts of postmenopausal osteoporosis Paget s disease and tumor-related hypercalcemia

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14

Apexbio Technology LLC Kojic acid 501-30-4 200mg
SDP

Kojic acid (CAS 501-30-4) is a small-molecule inhibitor targeting tyrosinase a key enzyme involved in melanin biosynthesis It is designed to inhibit tyrosinase activity thereby reducing melanin production Kojic acid exerts its biological activity primarily through chelation of copper ions at the active site of tyrosinase In enzymatic assays on mushroom tyrosinase kojic acid demonstrates inhibitory activity with an IC50 typically ranging from 14 to 50 M Based on these pharmacological properties kojic acid holds research potential in hyperpigmentation disorders skin whitening applications and oxidative stress-related experimental models

ENCOMPASS_PREFERRED
15

Apexbio Technology LLC Malonic acid 141-82-2 500mg
SDP

Malonic acid is a small-molecule dicarboxylic acid It is commonly used to facilitate the cross-linking of polysaccharide molecules such as corn starch and potato starch by forming covalent linkages via its two carboxyl groups Malonic acid acts primarily through condensation or esterification reactions to increase intermolecular connectivity and modulate the mechanical properties of biopolymer matrices Based on these properties malonic acid holds research potential in pharmaceutical excipient formulation drug delivery system development and biomaterial engineering studies

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