FLT3-IN-1 Succinate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H38N8O2.C4H6O4
Molecular Weight	648.7525
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC(O)=O.CCCNC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)\C=C\CN(C)C

InChI

InChIKey=BBKTUZZYTYYDAM-CQELKUSOSA-N

InChI=1S/C29H38N8O2.C4H6O4/c1-6-17-31-27-24(21-33-29(35-27)34-25-15-13-23(20-30)14-16-25)11-8-7-9-18-32-28(39)22(2)37(5)26(38)12-10-19-36(3)4;5-3(6)1-2-4(7)8/h10,12-16,21-22H,6-7,9,17-19H2,1-5H3,(H,32,39)(H2,31,33,34,35);1-2H2,(H,5,6)(H,7,8)/b12-10+;/t22-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C4H6O4
Molecular Weight	118.088
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C29H38N8O2
Molecular Weight	530.6644
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Tyrosine-protein kinase receptor FLT3 43 Target ID: CHEMBL1974 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29187377	Inhibitor 8297	0.2 nM [IC50]
Stem cell growth factor receptor 53 Target ID: CHEMBL1936 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29187377	Inhibitor 8297	2.0 nM [IC50]
Misshapen-like kinase 1 2 Target ID: CHEMBL5518 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29187377	Inhibitor 8297	6.8 nM [IC50]
Interleukin-1 receptor-associated kinase 1 4 Target ID: CHEMBL3357 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29187377	Inhibitor 8297	13.0 nM [IC50]
Tyrosine-protein kinase receptor FLT3 43 Target ID: CHEMBL1974 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22452518	Inhibitor 8297	10.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:54:28 UTC 2023` Edited by `admin` on `Sat Dec 16 11:54:28 UTC 2023`
Record UNII	X0AXI98227
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLT3-IN-1 Succinate

Code

English

FF 10101 01 [WHO-DD]

Common Name

English

(S,E)-N-(1-((5-(2-((4-CYANOPHENYL)AMINO)-4-(PROPYLAMINO)PYRIMIDIN-5-YL)PENT-4-YN-1-YL)AMINO)-1-OXOPROPAN-2-YL)-4-(DIMETHYLAMINO)-N- METHYLBUT-2-ENAMIDE SUCCINATE

Systematic Name

English

BUTANEDIOIC ACID, COMPD. WITH (2E)-N-((1S)-2-((5-(2-((4-CYANOPHENYL)AMINO)-4-(PROPYLAMINO)-5-PYRIMIDINYL)-4-PENTYN-1-YL)AMINO)-1-METHYL-2-OXOETHYL)-4-(DIMETHYLAMINO)-N-METHYL-2-BUTENAMIDE

Systematic Name

English

Code System Code Type Description

CAS

1702864-11-6

Created by admin on Sat Dec 16 11:54:28 UTC 2023 , Edited by admin on Sat Dec 16 11:54:28 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

X0AXI98227

Created by admin on Sat Dec 16 11:54:28 UTC 2023 , Edited by admin on Sat Dec 16 11:54:28 UTC 2023

PRIMARY

PUBCHEM

133053567

Created by admin on Sat Dec 16 11:54:28 UTC 2023 , Edited by admin on Sat Dec 16 11:54:28 UTC 2023

PRIMARY

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