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Bendamustine-d8

CAT: 0804-HY-13567S1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13567S1Size:1 mg
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Description
Bendamustine-d8 is the deuterium labeled Bendamustine[1]. Bendamustine (SDX-105 free base), a purine analogue, is a DNA cross-linking agent. Bendamustine activates DNA-damage stress response and apoptosis. Bendamustine has potent alkylating, anticancer and antimetabolite properties[2].
CAS Number
1134803-33-0
Product Name Alternative
SDX-105-d8 (free base)
UNSPSC
12352005
Target
Apoptosis; DNA Alkylator/Crosslinker
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Solubility
10 mM in DMSO
Smiles
CN1C2=CC=C(N(C([2H])([2H])C([2H])([2H])Cl)C([2H])([2H])C([2H])([2H])Cl)C=C2N=C1CCCC(O)=O
Molecular Formula
C16H13D8Cl2N3O2
Molecular Weight
366.31
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Leoni LM, et al. Bendamustine (Treanda) displays a distinct pattern of cytotoxicity and unique mechanistic features compared with other alkylating agents. Clin Cancer Res. 2008 Jan 1;14 (1) :309-17.|[3]Cives M, et al. Bendamustine overcomes resistance to melphalan in myeloma cell lines by inducing cell death through mitotic catastrophe. Cell Signal. 2013 May;25 (5) :1108-17.|[4]Ackler S, et al. Navitoclax (ABT-263) and bendamustine ± rituximab induce enhanced killing of non-Hodgkin's lymphoma tumours in vivo. Br J Pharmacol. 2012 Oct;167 (4) :881-91.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Bendamustine-D8 Hydrochloride
CAS Number1134803-33-0
PubChem CID25235231
IUPAC Name4-[5-[bis(2-chloro-1,1,2,2-tetradeuterioethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid
Molecular FormulaC16H21Cl2N3O2
Molecular Weight366.3
XLogP2.9
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity380
SMILES
[2H]C([2H])(C([2H])([2H])Cl)N(C1=CC2=C(C=C1)N(C(=N2)CCCC(=O)O)C)C([2H])([2H])C([2H])([2H])Cl
InChI
InChI=1S/C16H21Cl2N3O2/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)/i7D2,8D2,9D2,10D2
InChIKey
YTKUWDBFDASYHO-UFBJYANTSA-N
Chemical Structure
2D Structure
2D structure of Bendamustine-D8 Hydrochloride
CAS: 1134803-33-0
CID: 25235231
Formula: C16H21Cl2N3O2
MW: 366.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.3
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass365.1512963
Monoisotopic Mass365.1512963
Topological Polar Surface Area58.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity380
Isotope Atom Count8
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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Alternative Products

CatalogName
AR-B06203-01Bendamustine-d8 HCl
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AR-B06202-01Bendamustine Impurity 5-d8 HCl (Bendamustine Desmethyl Impurity-d8 HCl)
AR-B06189-01Bendamustine Impurity 7-d8
AR-B06201-01Bendamustine Impurity 4-d8 (Dihydroxy Impurity-d8)
AR-B06191-01Bendamustine USP Related Compound E-d8
sc-357294Bendamustine
FB18163-01Bendamustine hydrochloride
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