Products for Research Use Only
RegisterLogin

Alobresib

CAT: 0931-T8495-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T8495-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1637771-14-2
Target
Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Purity
0.9887
Bioactivity
Alobresib (Vorolanib) is an inhibitor of BET bromodomain, is an antineoplastic drug candidate.
Smiles
Cc1noc(C)c1-c1cc(c2[nH]c(nc2c1)C1CC1)C(O)(c1ccccn1)c1ccccn1
Molecular Formula
C26H23N5O2
Molecular Weight
437.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alobresib

Alobresib is under investigation in clinical trial NCT02607228 (Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of GS-5829 as a Single Agent and In Combination With Enzalutamide in Participants With Metastatic Castrate-Resistant Prostate Cancer).

CAS Number1637771-14-2
PubChem CID86281210
IUPAC Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol
Molecular FormulaC26H23N5O2
Molecular Weight437.5
XLogP3.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity672
SMILES
CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)NC(=N3)C4CC4)C(C5=CC=CC=N5)(C6=CC=CC=N6)O
InChI
InChI=1S/C26H23N5O2/c1-15-23(16(2)33-31-15)18-13-19(24-20(14-18)29-25(30-24)17-9-10-17)26(32,21-7-3-5-11-27-21)22-8-4-6-12-28-22/h3-8,11-14,17,32H,9-10H2,1-2H3,(H,29,30)
InChIKey
CMSUJGUHYXQSOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alobresib
CAS: 1637771-14-2
CID: 86281210
Formula: C26H23N5O2
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass437.18517499
Monoisotopic Mass437.18517499
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T124282-01Aloeresin A
T8179-01Aloeresin D
T79961-01Aloeresin G
T83139-01Aloeresin J
T83144-01Allo-Aloeresin D

Alternative Products

CatalogName
MBS3843703-01Alobresib
A19246-100Alobresib 100mg
A19246-2Alobresib 2mg
A19246-10Alobresib 10mg
A19246-5Alobresib 5mg
A19246-50Alobresib 50mg
A19246-25Alobresib 25mg
A19246-1Alobresib 1mg
MQC77114-01Alobresib (GS-5829)
A19246-10mM-DAlobresib 10mM * 1mL in DMSO

Popular Products