U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of TINOSTAMUSTINE

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

Targets

Primary TargetPharmacologyConditionPotency
6.0 nM [IC50]
9.0 nM [IC50]
9.0 nM [IC50]
25.0 nM [IC50]
PubMed

PubMed

TitleDatePubMed
The Alkylating-HDAC Inhibition Fusion Principle: Taking Chemotherapy to the Next Level with the First in Class Molecule EDO-S101.
2016
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
INN   USAN  
USAN   INN  
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
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
NCI_THESAURUS C1946
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
Code System Code Type Description
INN
10475
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
PUBCHEM
46836227
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
CAS
1236199-60-2
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
USAN
EF-22
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
EVMPD
SUB195193
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
FDA UNII
29DKI2H2NY
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
DRUG BANK
DB15147
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
SMS_ID
100000181504
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
NCI_THESAURUS
C126105
Created by admin on Sat Dec 16 02:17:24 GMT 2023 , Edited by admin on Sat Dec 16 02:17:24 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY