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Trofosfamide-d4

CAT: 0804-HY-119824S-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119824S-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Trofosfamide-d4 is the deuterium labeled Trofosfamide. Trofosfamide is an orally bioavailable oxazaphosphorine derivative with antineoplastic activity[1][2].
CAS Number
1189884-36-3
UNSPSC
12352005
Target
Bacterial; Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Solubility
10 mM in DMSO
Smiles
N(CCCl)(CCCl)P1(=O)N(CCCl)C(C(CO1)([2H])[2H])([2H])[2H]
Molecular Formula
C9H14D4Cl3N2O2P
Molecular Weight
327.61
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Witte HM, et al. Trofosfamide in the treatment of elderly or frail patients with diffuse large B-cell lymphoma. J Cancer Res Clin Oncol. 2019 Jan;145 (1) :129-136.|[3]Görn M, et al. A pilot study of docetaxel and trofosfamide as second-line 'metronomic' chemotherapy in the treatment of metastatic non-small cell lung cancer (NSCLC) . Onkologie. 2008 Apr;31 (4) :185-9.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Trofosfamide-d4
CAS Number1189884-36-3
PubChem CID46783210
IUPAC NameN,N,3-tris(2-chloroethyl)-4,4,5,5-tetradeuterio-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Molecular FormulaC9H18Cl3N2O2P
Molecular Weight327.6
XLogP1.8
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity265
SMILES
[2H]C1(COP(=O)(N(C1([2H])[2H])CCCl)N(CCCl)CCCl)[2H]
InChI
InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2/i1D2,5D2
InChIKey
UMKFEPPTGMDVMI-QEOHIWEKSA-N
Chemical Structure
2D Structure
2D structure of Trofosfamide-d4
CAS: 1189884-36-3
CID: 46783210
Formula: C9H18Cl3N2O2P
MW: 327.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.6
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass326.042255
Monoisotopic Mass326.042255
Topological Polar Surface Area32.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity265
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-220345Trofosfamide-d4
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