Batoprotafib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24ClN7OS
Molecular Weight	421.947
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1OCC2(CCN(CC2)C3=NC(N)=C(SC4=C(Cl)C(N)=NC=C4)N=C3)[C@@H]1N

InChI

InChIKey=UCJZOKGUEJUNIO-IINYFYTJSA-N

InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H24ClN7OS
Molecular Weight	421.947
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 `Fri Dec 15 20:19:03 UTC 2023` Edited by `admin` on `Fri Dec 15 20:19:03 UTC 2023`
Record UNII	FPJWORQEGI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Batoprotafib

Official Name

English

PTPN11 INHIBITOR TNO155

Common Name

English

(3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4- yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8- azaspiro[4.5]decan-4-amine

Systematic Name

English

TNO-155

Code

English

2-Oxa-8-azaspiro[4.5]decan-4-amine, 8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-3-methyl-, (3S,4S)-

Systematic Name

English

(3S,4S)-8-(6-AMINO-5-((2-AMINO-3-CHLOROPYRIDIN-4-YL)SULFANYL)PYRAZIN-2-YL)-3-METHYL-2-OXA-8-AZASPIRO(4.5)DECAN-4-AMINE

Systematic Name

English

TNO155

Code

English

(3S,4S)-8-[6-Amino-5-[(2-amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

Systematic Name

English

Batoprotafib [INN]

Common Name

English

SHP2 INHIBITOR TNO155

Common Name

English

TNO 155 [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825