N6-[2-[[4-(Diethylamino)-1-methylbutyl]amino]-6-methyl-4-pyrimidinyl]-2-methyl-4,6-quinolinediamine

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H35N7
Molecular Weight	421.5816
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N6-[2-[[4-(Diethylamino)-1-methylbutyl]amino]-6-methyl-4-pyrimidinyl]-2-methyl-4,6-quinolinediamine

Structure Search

SMILES

CCN(CC)CCCC(C)NC1=NC(C)=CC(NC2=CC=C3N=C(C)C=C(N)C3=C2)=N1

InChI

InChIKey=DEFBCZWQLILOJF-UHFFFAOYSA-N

InChI=1S/C24H35N7/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula	C24H35N7
Molecular Weight	421.5816
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ras-related C3 botulinum toxin substrate 1 3 Target ID: P63000 Gene ID: 5879.0 Gene Symbol: RAC1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/15128949	Inhibitor 8297		50.0 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:19:16 GMT 2023` Edited by `admin` on `Sat Dec 16 08:19:16 GMT 2023`
Record UNII	RGM7SKV2JS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N6-[2-[[4-(Diethylamino)-1-methylbutyl]amino]-6-methyl-4-pyrimidinyl]-2-methyl-4,6-quinolinediamine

Systematic Name

English

4,6-Quinolinediamine, N6-[2-[[4-(diethylamino)-1-methylbutyl]amino]-6-methyl-4-pyrimidinyl]-2-methyl-

Systematic Name

English

NSC-23766

Code

English

Code System Code Type Description

CHEBI

144984