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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O5
Molecular Weight 238.2366
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VELARESOL

SMILES

OC(=O)CCCCOC1=CC=CC(O)=C1C=O

InChI

InChIKey=NSUDGNLOXMLAEB-UHFFFAOYSA-N
InChI=1S/C12H14O5/c13-8-9-10(14)4-3-5-11(9)17-7-2-1-6-12(15)16/h3-5,8,14H,1-2,6-7H2,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C12H14O5
Molecular Weight 238.2366
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Velaresol, also known as BW12C or BW12C79, is an oxyhemoglobin stabilizer that has the potential to induce normal tissue and tumor hypoxia preferential binding to the oxy conformation of hemoglobin, increasing its affinity for oxygen and thereby reducing oxygen availability to tissues. Velaresol stabilizes oxyhemoglobin also protect sickle cells against calcium-mediated dehydration. The activity of a number of bioreductive anticancer drugs, such as mitomycin C, maybe enhanced under hypoxic conditions. Velaresol administration caused significant radioprotection of normal tissues and induced tumor necrosis.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
O2 dependence of K+ transport in sickle cells: the effect of different cell populations and the substituted benzaldehyde 12C79.
2001 Mar
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:39:42 GMT 2023
Edited
by admin
on Fri Dec 15 15:39:42 GMT 2023
Record UNII
9EQV0XQ79B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VELARESOL
INN   MART.  
INN  
Official Name English
velaresol [INN]
Common Name English
12C
Code English
5-(2-FORMYL-3-HYDROXYPHENOXY)VALERIC ACID
Systematic Name English
VELARESOL [MART.]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 22087
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
NCI_THESAURUS C78275
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
NCI_THESAURUS C26170
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
Code System Code Type Description
CAS
77858-21-0
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
PUBCHEM
72162
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
FDA UNII
9EQV0XQ79B
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
278-778-8
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
INN
6915
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107643
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
NCI_THESAURUS
C152845
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
SMS_ID
100000079077
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID30228472
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
EVMPD
SUB00032MIG
Created by admin on Fri Dec 15 15:39:42 GMT 2023 , Edited by admin on Fri Dec 15 15:39:42 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY