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CAS RN 101932-71-2

H3CO(S)(S)OH(S)OHOHN(S)CH3O(R)O(S)(S)HO(R)H3CO(R)(S)(S)OH(R)CH3(R)OH(R)CH3CH3H3CH3CNOCH3(R)OPHOOHOCH3H3CNNCH3H3C(E)(E)(E)(E)(Z)

CAS RN 101932-71-2

IUPAC Name: {[(2R,3R,5S,7R,8R,9S)-2-[(1S,3S,4R,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(2S)-4-[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanamido]butan-2-yl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]decan-3-yl]oxy}phosphonic acid
Synonyms: [(2R,3R,5S,7R,8R,9S)-2-[(1S,3S,4R,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraen-1-yl]-7-[(2E)-3-{2-[(2S)-4-[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanamido]butan-2-yl]-1,3-oxazol-4-yl}prop-2-en-1-yl]-9-hydroxy-4,4,8-trimethyl-1,6-dioxaspiro[4.5]decan-3-yl]oxyphosphonic acid
Molecular Weight (g/mol): 1009.19
Molecular Formula: C50H81N4O15P
InChi Key: FKAWLXNLHHIHLA-QJLNTFFJSA-N
SMILES: COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)C1=NC(\C=C\C[C@H]2O[C@@]3(C[C@H](O)[C@H]2C)O[C@H]([C@H](C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)=CO1)N(C)C
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1

Calyculin A, >98%, MP Biomedicals™

CAS: 101932-71-2 Molecular Formula: C50H81N4O15P Molecular Weight (g/mol): 1009.185 InChI Key: FKAWLXNLHHIHLA-OROLNYDDSA-N Synonym: calyculin a PubChem CID: 131632568 IUPAC Name: [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7 SMILES: CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O

PubChem CID 131632568
CAS 101932-71-2
Molecular Weight (g/mol) 1009.185
SMILES CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O
Synonym calyculin a
IUPAC Name [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7
InChI Key FKAWLXNLHHIHLA-OROLNYDDSA-N
Molecular Formula C50H81N4O15P
2

MilliporeSigma™ Calbiochem™ Calyculin A, Discodermia calyx

Calyculin A, CAS 101932-71-2, is a cell-permeable inhibitor of protein phosphatase 2A (IC50 = 0.5-1 nM) and protein phosphatase 1 (PP1; IC50 = 2 nM).

3

R&D Systems Calyculin A, Tocris Bioscience™

CAS: 101932-71-2 Molecular Formula: C50H81N4O15P Molecular Weight (g/mol): 1009.185 InChI Key: FKAWLXNLHHIHLA-OROLNYDDSA-N Synonym: calyculin a PubChem CID: 131632568 IUPAC Name: [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7 SMILES: CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O

PubChem CID 131632568
CAS 101932-71-2
Molecular Weight (g/mol) 1009.185
SMILES CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O
Synonym calyculin a
IUPAC Name [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7
InChI Key FKAWLXNLHHIHLA-OROLNYDDSA-N
Molecular Formula C50H81N4O15P