CAS 173101-54-7

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetilossi)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecaidro-4,11-diidrossi-4a,8,13,13-tetrametil-12-[[(2E)-2-metil-1-osso-2-buten-1-il]ossi]-5-osso-7,11-metano-1H-ciclodeca[3,4]benz[1,2-b]oxet-9-il (αR,βS)-β-(benzoylamino)-α-idrossibenzenepropanoato

Descrizione:

La sostanza chimica con il nome "(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetilossi)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecaidro-4,11-diidrossi-4a,8,13,13-tetrametil-12-[[(2E)-2-metil-1-osso-2-buten-1-il]ossi]-5-osso-7,11-metano-1H-ciclodeca[3,4]benz[1,2-b]oxet-9-il (αR,βS)-β-(benzoylamino)-α-idrossibenzenepropanoato" e numero CAS "173101-54-7" è un composto organico complesso caratterizzato dalla sua intricatissima estereochenica e da molteplici gruppi funzionali. Presenta una struttura di dodecahydro, che indica un quadro ciclico saturo, insieme a diversi gruppi idrossile (-OH) e acetyloxy (-OCOCH3) che suggeriscono una potenziale reattività e solubilità in solventi polari. La presenza di un gruppo benzoylamino implica possibili interazioni con sistemi biologici, rendendolo di interesse per applicazioni farmaceutiche. La specifica stereochimica del composto, denotata dalle varie configurazioni R e S, indica che potrebbe mostrare un'attività biologica unica o proprietà farmacologiche. In generale, questa sostanza è probabilmente un derivato sintetico con potenziali usi in chimica medicinale, in particolare nello sviluppo di agenti terapeutici.

Formula: C₄₅H₅₃NO₁₄

InChI: InChI=1S/C45H53NO14/c1-9-23(2)40(53)59-38-36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32-24(3)29(21-45(38,55)42(32,6)7)58-41(54)34(50)33(27-16-12-10-13-17-27)46-39(52)28-18-14-11-15-19-28/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1

InChI key: InChIKey=YJXDCLDHHJRTGV-WBYYIXQISA-N

SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(/C(=C/C)/C)=O)[C@@]4(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)O)=O)C4)[H]

Sinonimi:

• (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-(benzoylamino)-α-hydroxybenzenepropanoate
• 2-Debenzoyl-2-tigloylpaclitaxel
• Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
• Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-12-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
• Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-12-[(2-methyl-1-oxo-2-butenyl)oxy]-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α(E),12aα,12bα]]-
• Isocephalomannine
• 2-o-debenzoyl-2-o-tigloylpaclitazel
• Paclitaxel EP Impurity A
• Paclitaxel impurity 8/Paclitaxel EP Impurity A/Iso Cephalomannine/2-Debenzoyl-2-tigloylpaclitaxel/(αR,βS)-β-(Benzoylamino)-α-hydroxybenzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydr
• Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, ...
• Paclitaxel Impurity 1（Paclitaxel EP Impurity A）
• Paclitaxel Impurity
• 2-O-Debenzoyl-2-O-tigloylpaclitaxel
• (αR,βS)-β-(BenzoylaMino)-α-hydroxybenzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetraMethyl-12-[[(2E)-2-Methyl-1-oxo-2-buten-1-yl]oxy]-5-oxo-7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
• Iso CephaloMannine
• Paclitaxel EP Impurity A，2-o-debenzoyl-2-o-tigloylpaclitazel
• (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-12-(((E)-2-methylbut-2-enoyl)oxy)-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate (Paclitaxel Impurity)
• Paclitaxel Impurity 15
• (Iso Cephalomannine)

Paclitaxel EP Impurity A

CAS: 173101-54-7

Formula: C₄₅H₅₃NO₁₄

Colore e forma: White To Off-White Solid

Peso molecolare: 831.91

Ref: 4Z-P-2823

Iso Cephalomannine

CAS: 173101-54-7

Impurity Paclitaxel impurity A; Paclitaxel - impurity A
Applications Iso Cephalomannine is a Cephalomannine (C258500) isomer as an impurity in Paclitaxel (P132500) active pharmaceutical ingredient. Paclitaxel impurity A. It binds to the N-terminal 31 amino acids of the beta-tubulin subunit in the microtubule, rather than to tubulin dimers. Paclitaxel - impurity A.
References Kerns, E., et al.: Drug Info J., 32, 471 (1998), Darrington, R., et al.: J. Pharm. Sci., 93, 838 (2004),

Formula: C₄₅H₅₃NO₁₄

Colore e forma: White

Peso molecolare: 831.9

Ref: TR-I789500

Paclitaxel EP Impurity A

CAS: 173101-54-7

Formula: C₄₅H₅₃NO₁₄

Peso molecolare: 831.91

Ref: ST-EA-CP-P36144