IXAZOMIB CITRATE 1,3,2-DIOXABORINANE

Investigational

Details

Stereochemistry	EPIMERIC
Molecular Formula	C20H23BCl2N2O9
Molecular Weight	517.122
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IXAZOMIB CITRATE 1,3,2-DIOXABORINANE

Structure Search

SMILES

CC(C)C[C@H](NC(=O)CNC(=O)C1=C(Cl)C=CC(Cl)=C1)B2OC(=O)CC(CC(O)=O)(O2)C(O)=O

InChI

InChIKey=YTXSYWAKVMZICI-PVCZSOGJSA-N

InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H23BCl2N2O9
Molecular Weight	517.122
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Proteasome subunit beta type-5 6 Target ID: P28074\|\|\|Q86T01 Gene ID: 5693.0 Gene Symbol: PSMB5 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/26811670	Inhibitor 8297		5.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:17:00 UTC 2023` Edited by `admin` on `Fri Dec 15 19:17:00 UTC 2023`
Record UNII	E8R04MBQ04
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IXAZOMIB CITRATE 1,3,2-DIOXABORINANE

Common Name

English

1,3,2-DIOXABORINANE-4-ACETIC ACID, 4-CARBOXY-2-((1R)-1-((2-((2,5-DICHLOROBENZOYL)AMINO)ACETYL)AMINO)-3-METHYLBUTYL)-6-OXO-

Common Name

English

Code System Code Type Description

PUBCHEM

49867936

Created by admin on Fri Dec 15 19:17:00 UTC 2023 , Edited by admin on Fri Dec 15 19:17:00 UTC 2023

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FDA UNII

E8R04MBQ04

Created by admin on Fri Dec 15 19:17:00 UTC 2023 , Edited by admin on Fri Dec 15 19:17:00 UTC 2023

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EPA CompTox

DTXSID10152721

Created by admin on Fri Dec 15 19:17:00 UTC 2023 , Edited by admin on Fri Dec 15 19:17:00 UTC 2023

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CAS

1201902-80-8

Created by admin on Fri Dec 15 19:17:00 UTC 2023 , Edited by admin on Fri Dec 15 19:17:00 UTC 2023

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