Asaretoclax

Details

Stereochemistry	ACHIRAL
Molecular Formula	C47H57F2N7O7S
Molecular Weight	902.06
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0
Stereo Comments	Trans CIS substitution

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)CCC(CN2CCN(CC2)C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(NC[C@H]5CC[C@](C)(O)CC5)C(=C4)[N+]([O-])=O)C(OC6=CN=C7NC=CC7=C6)=C3)=C(C1)C89CC(C8)(C9)C(F)F

InChI

InChIKey=DREKSGOBSPWACW-MNMGTKACSA-N

InChI=1S/C47H57F2N7O7S/c1-44(2)12-10-32(37(23-44)46-27-47(28-46,29-46)43(48)49)26-54-16-18-55(19-17-54)33-4-6-36(40(21-33)63-34-20-31-11-15-50-41(31)52-25-34)42(57)53-64(61,62)35-5-7-38(39(22-35)56(59)60)51-24-30-8-13-45(3,58)14-9-30/h4-7,11,15,20-22,25,30,43,51,58H,8-10,12-14,16-19,23-24,26-29H2,1-3H3,(H,50,52)(H,53,57)/t30-,45-,46?,47?

HIDE SMILES / InChI

Molecular Formula	C47H57F2N7O7S
Molecular Weight	902.06
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:17:20 GMT 2025` Edited by `admin` on `Wed Apr 02 19:17:20 GMT 2025`
Record UNII	GY6FD5FXA3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

asaretoclax [INN]

Preferred Name

English

Asaretoclax

Official Name

English

Benzamide, 4-[4-[[2-[3-(difluoromethyl)bicyclo[1.1.1]pent-1-yl]-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(trans-4-hydroxy-4-methylcyclohexyl)methyl]amino]-3-nitrophenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-

Systematic Name

English

4-[4-[[2-[3-(Difluoromethyl)bicyclo[1.1.1]pent-1-yl]-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(trans-4-hydroxy-4-methylcyclohexyl)methyl]amino]-3-nitrophenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

Systematic Name

English

Code System Code Type Description

FDA UNII

GY6FD5FXA3

Created by admin on Wed Apr 02 19:17:20 GMT 2025 , Edited by admin on Wed Apr 02 19:17:20 GMT 2025

PRIMARY

NCI_THESAURUS

C178326

Created by admin on Wed Apr 02 19:17:20 GMT 2025 , Edited by admin on Wed Apr 02 19:17:20 GMT 2025

PRIMARY

INN

12708

Created by admin on Wed Apr 02 19:17:20 GMT 2025 , Edited by admin on Wed Apr 02 19:17:20 GMT 2025

PRIMARY

CAS

2363074-01-3

Created by admin on Wed Apr 02 19:17:20 GMT 2025 , Edited by admin on Wed Apr 02 19:17:20 GMT 2025

PRIMARY

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					8RQM3E2NEV

APOPTOSIS REGULATOR BCL-2

TARGET -> INHIBITOR

Amount:

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					GY6FD5FXA3

Asaretoclax

ACTIVE MOIETY

Amount: