ASN007 benzenesulfonate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25ClFN7O2.C6H6O3S
Molecular Weight	632.106
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.CC2=C(N=C(NC3CCOCC3)N=C2)N4C=NC(=C4)C(=O)N[C@H](CN)C5=CC(F)=CC(Cl)=C5

InChI

InChIKey=JXWBNMQMMAONIH-GMUIIQOCSA-N

InChI=1S/C22H25ClFN7O2.C6H6O3S/c1-13-10-26-22(28-17-2-4-33-5-3-17)30-20(13)31-11-19(27-12-31)21(32)29-18(9-25)14-6-15(23)8-16(24)7-14;7-10(8,9)6-4-2-1-3-5-6/h6-8,10-12,17-18H,2-5,9,25H2,1H3,(H,29,32)(H,26,28,30);1-5H,(H,7,8,9)/t18-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

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

Molecular Formula	C22H25ClFN7O2
Molecular Weight	473.931
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:55:40 GMT 2025` Edited by `admin` on `Wed Apr 02 14:55:40 GMT 2025`
Record UNII	56B8N67KES
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASN007 benzenesulfonate

Common Name

English

1H-Imidazole-4-carboxamide, N-[(1S)-2-amino-1-(3-chloro-5-fluorophenyl)ethyl]-1-[5-methyl-2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-, compd. with benzenesulfonate (1:1)

Preferred Name

English

N-[(1S)-2-amino-1-(3-chloro-5-fluorophenyl)ethyl]-1-{5-methyl-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-1H-imidazole-4-carboxamide; benzenesulfonic acid

Systematic Name

English

ERK-IN-3 benzenesulfonate

Common Name

English

Code System Code Type Description

FDA UNII

56B8N67KES

Created by admin on Wed Apr 02 14:55:40 GMT 2025 , Edited by admin on Wed Apr 02 14:55:40 GMT 2025

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CAS

2055597-39-0

Created by admin on Wed Apr 02 14:55:40 GMT 2025 , Edited by admin on Wed Apr 02 14:55:40 GMT 2025

PRIMARY

PUBCHEM

124122603

Created by admin on Wed Apr 02 14:55:40 GMT 2025 , Edited by admin on Wed Apr 02 14:55:40 GMT 2025

PRIMARY

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ASN-007

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Amount: