TOLINAPANT L-LACTATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H42FN5O3.C3H6O3
Molecular Weight	629.7625
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)C(O)=O.C[C@@H]1CN(CC(=O)N2CC(C)(C)C3=C2C=C(CC4=CC=C(F)C=C4)C(CO)=N3)[C@@H](CN5CCOC[C@H]5C)CN1

InChI

InChIKey=SBTPPLFVHRUZCG-CUBKJZQNSA-N

InChI=1S/C30H42FN5O3.C3H6O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22;1-2(4)3(5)6/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3;2,4H,1H3,(H,5,6)/t20-,21-,25-;2-/m11/s1

HIDE SMILES / InChI

Molecular Formula	C3H6O3
Molecular Weight	90.0779
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C30H42FN5O3
Molecular Weight	539.6846
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Baculoviral IAP repeat-containing protein 2 9 Target ID: Q13490 Gene ID: 329.0 Gene Symbol: BIRC2 Target Organism: Homo sapiens (Human) Sources: https://astx.com/research-development/clinical-pipeline/astx660-dual-iap-antagonist-solid-tumors-lymphomas/ \| https://www.ncbi.nlm.nih.gov/pubmed/29695633	Antagonist 2778
Baculoviral IAP repeat-containing protein 3 9 Target ID: Q13489 Gene ID: 330.0 Gene Symbol: BIRC3 Target Organism: Homo sapiens (Human) Sources: https://astx.com/research-development/clinical-pipeline/astx660-dual-iap-antagonist-solid-tumors-lymphomas/ \| https://www.ncbi.nlm.nih.gov/pubmed/29695633	Antagonist 2778
E3 ubiquitin-protein ligase XIAP 4 Target ID: P98170 Gene ID: 331.0 Gene Symbol: XIAP Target Organism: Homo sapiens (Human) Sources: https://astx.com/research-development/clinical-pipeline/astx660-dual-iap-antagonist-solid-tumors-lymphomas/ \| https://www.ncbi.nlm.nih.gov/pubmed/29695633	Antagonist 2778

PubMed

Title	Date	PubMed
ASTX660, a Novel Non-peptidomimetic Antagonist of cIAP1/2 and XIAP, Potently Induces TNFα-Dependent Apoptosis in Cancer Cell Lines and Inhibits Tumor Growth.	2018 Jul	29695633

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:25:55 GMT 2023` Edited by `admin` on `Sat Dec 16 10:25:55 GMT 2023`
Record UNII	VT4WU0MY57
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOLINAPANT L-LACTATE

Common Name

English

ASTX-660 L-LACTATE

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

758020

Created by admin on Sat Dec 16 10:25:55 GMT 2023 , Edited by admin on Sat Dec 16 10:25:55 GMT 2023

Code System Code Type Description

PUBCHEM

155801565

Created by admin on Sat Dec 16 10:25:55 GMT 2023 , Edited by admin on Sat Dec 16 10:25:55 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

VT4WU0MY57

Created by admin on Sat Dec 16 10:25:55 GMT 2023 , Edited by admin on Sat Dec 16 10:25:55 GMT 2023

PRIMARY

CAS

1799328-87-2

Created by admin on Sat Dec 16 10:25:55 GMT 2023 , Edited by admin on Sat Dec 16 10:25:55 GMT 2023

PRIMARY

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