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Bendamustine hydrochloride

CAT: 1410-M14207-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M14207-02Size:1 mL x 10 mM in DMSO
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Description
Bendamustine hydrochloride is an alkylating agent associated with DNA damage with IC50 of 50 μM.
CAS Number
3543-75-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
394.72
Molecular Formula
C16H21Cl2N3O2·HCl
Notes
Research use only, not for human use.
Receptor
DNA synthesis

Chemical Information

Bendamustine Hydrochloride

Bendamustine Hydrochloride is the hydrochloride salt of bendamustine, a bifunctional mechlorethamine derivative with alkylator and antimetabolite activities. Bendamustine possesses three active moieties: an alkylating group; a benzimidazole ring, which may act as a purine analogue; and a butyric acid side chain. Although its exact mechanism of action is unknown this agent appears to act primarily as an alkylator. Bendamustine metabolites alkylate and crosslink macromolecules, resulting in DNA, RNA and protein synthesis inhibition, and, subsequently, apoptosis. Bendamustine may differ from other alkylators in that it may be more potent in activating p53-dependent stress pathways and inducing apoptosis; it may induce mitotic catastrophe; and it may activate a base excision DNA repair pathway rather than an alkyltransferase DNA repair mechanism. Accordingly, this agent may be more efficacious and less susceptible to drug resistance than other alkylators.

CAS Number3543-75-7
PubChem CID77082
IUPAC Name4-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride
Molecular FormulaC16H22Cl3N3O2
Molecular Weight394.7
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity380
SMILES
CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O.Cl
InChI
InChI=1S/C16H21Cl2N3O2.ClH/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23;/h5-6,11H,2-4,7-10H2,1H3,(H,22,23);1H
InChIKey
ZHSKUOZOLHMKEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bendamustine Hydrochloride
CAS: 3543-75-7
CID: 77082
Formula: C16H22Cl3N3O2
MW: 394.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass393.077760
Monoisotopic Mass393.077760
Topological Polar Surface Area58.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity380
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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