TINOSTAMUSTINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H28Cl2N4O2
Molecular Weight	415.357
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(CCCCCCC(=O)NO)=NC2=C1C=CC(=C2)N(CCCl)CCCl

InChI

InChIKey=GISXTRIGVCKQBX-UHFFFAOYSA-N

InChI=1S/C19H28Cl2N4O2/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26)

HIDE SMILES / InChI

Molecular Formula	C19H28Cl2N4O2
Molecular Weight	415.357
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Histone deacetylase 6 27 Target ID: CHEMBL1865 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25980817	Inhibitor 8297	6.0 nM [IC50]
Histone deacetylase 1 51 Target ID: CHEMBL325 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25980817	Inhibitor 8297	9.0 nM [IC50]
Histone deacetylase 2 37 Target ID: CHEMBL1937 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25980817	Inhibitor 8297	9.0 nM [IC50]
Histone deacetylase 3 35 Target ID: CHEMBL1829 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25980817	Inhibitor 8297	25.0 nM [IC50]

PubMed

Title	Date	PubMed
The Alkylating-HDAC Inhibition Fusion Principle: Taking Chemotherapy to the Next Level with the First in Class Molecule EDO-S101.	2016	25980817

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:17:24 GMT 2023` Edited by `admin` on `Sat Dec 16 02:17:24 GMT 2023`
Record UNII	29DKI2H2NY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TINOSTAMUSTINE

Official Name

English

Tinostamustine [WHO-DD]

Common Name

English

EDO-S 101

Code

English

1H-BENZIMIDAZOLE-2-HEPTANAMIDE, 5-(BIS(2-CHLOROETHYL)AMINO)-N-HYDROXY-1-METHYL-

Systematic Name

English

tinostamustine [INN]

Common Name

English

EDO-S101

Code

English

7-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}-N-hydroxyheptanamide

Systematic Name

English

TINOSTAMUSTINE [USAN]

Common Name

English

EDO-S-101

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1590