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CB-5083

CAT: 0804-HY-12861-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12861-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CB-5083 is a first-in-class, potent, selective, and orally bioavailable inhibitor of the p97 AAA ATPase/VCP. CB-5083 selectively inhibits p97 through its D2 site with the IC50 of 11 nM[1].
CAS Number
1542705-92-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
P97
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/CB-5083.html
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CC2=C1C=C(C)N2C3=NC(NCC4=CC=CC=C4)=C(COCC5)C5=N3)N
Molecular Formula
C24H23N5O2
Molecular Weight
413.47
Precautions
H302, H315, H319, H335
References & Citations
[1]Zhou HJ, et al. Discovery of a First-in-Class, Potent, Selective, and Orally Bioavailable Inhibitor of the p97 AAA ATPase (CB-5083) . J Med Chem. 2015 Dec 24;58 (24) :9480-97.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Cb-5083

CB-5083 is an organic molecular entity. It has a role as an inhibitor.

CAS Number1542705-92-9
PubChem CID73051434
IUPAC Name1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindole-4-carboxamide
Molecular FormulaC24H23N5O2
Molecular Weight413.5
XLogP3.1
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity627
SMILES
CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)
InChIKey
RDALZZCKQFLGJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cb-5083
CAS: 1542705-92-9
CID: 73051434
Formula: C24H23N5O2
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass413.18517499
Monoisotopic Mass413.18517499
Topological Polar Surface Area95.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity627
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

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