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Remodelin hydrobromide

CAT: 0957-S7641-02Size: 50 mgDry Ice: YesHazardous: No
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CAT#:0957-S7641-02Size:50 mg
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Description
Remodelin hydrobromide (HBr) is a potent acetyl-transferase NAT10 inhibitor.
CAS Number
1622921-15-6
Synonyms
Remodelin HBr
Target
Histone Acetyltransferase
Activity
Epigenetics
Molecular Formula
C15H15BrN4S
Storage Conditions
2 years -80 in solvent

Chemical Information

Remodelin HBR
CAS Number1622921-15-6
PubChem CID86280479
IUPAC Name4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile;hydrobromide
Molecular FormulaC15H15BrN4S
Molecular Weight363.3
Topological Polar Surface Area89.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity397
SMILES
C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)C#N)C1.Br
InChI
InChI=1S/C15H14N4S.BrH/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13;/h5-8,10H,1-4H2,(H,17,19);1H
InChIKey
XNWBCMSPDCSWSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Remodelin HBR
CAS: 1622921-15-6
CID: 86280479
Formula: C15H15BrN4S
MW: 363.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass362.02008
Monoisotopic Mass362.02008
Topological Polar Surface Area89.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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