CAS 6055-19-2|cyclophosphamide hydrate|2-[bis(2-chloroethyl)amino]-1,3,2$l^{5}-oxazaphosphinan-2-one hydrate|Cyclophosphamide monohydrate|Cytoxan|2-[bis(2-chloroethyl)amino]-1,3,2λ<sup>5</sup>-oxaz...

General Information

Structure

Molecular Formula

C₇H₁₇Cl₂N₂O₃P

Molecular Mass

279.101241

Exact Mass

278.0353844

Charge

InChI

InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2

InChIKey

PWOQRKCAHTVFLB-UHFFFAOYSA-N

Canonic Smiles

ClCCN(P1(=O)NCCCO1)CCCl.O

Isomeric Smiles

C1CNP(=O)(OC1)N(CCCl)CCCl.O

Calculated Properties

JChem

Acid pKa

12.076543

H Acceptors

H Donor

LogD (pH = 5.5)

0.09654615

LogD (pH = 7.4)

0.096539564

Log P

0.096547686

Molar Refractivity

58.4781

Polarizability

23.373837

Polar Surface Area

41.57

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-[bis(2-chloroethyl)amino]-1,3,2$l^{5}-oxazaphosphinan-2-one hydrate 2-[bis(2-chloroethyl)amino]-1,3,2λ⁵-oxazaphosphinan-2-one hydrate

IUPAC Traditional name

cyclophosphamide hydrate

Synonyms

Cyclophosphamide monohydrate2-[双(2-氯乙基)氨基]四氢-2H-1,3,2-噁磷-2-氧化物CytoxanCyclophosphamide monohydrate环磷酰胺一水合物2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxideCycloblastinNSC 26271MitoxanGenoxal2-[bis(2-chloroethyl)amino]-1,3,2$l^{5}-oxazaphosphinan-2-one hydrateHexadrinCyclostinEndoxanN,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-Oxide MonohydrateEndoxan A

Names and Identifiers

Registration numbers

CAS Number

6055-19-2

Beilstein Number

4678992

PubChem SID

2427829216203820224892961

MDL Number

MFCD00149395

EC Number

200-015-4

PubChem CID

22420

Registration numbers

Properties

Pharmacology Properties

Gene Information

human ... ALDH1A1(216), ALDH1B1(219)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Selleck Chemicals

S2057

Research Area: Cancer
Biological Activity:

MP Biomedicals

02150749

Monohydrate
Purity: 98+%
Cancer research tool.

Sigma Aldrich

C7397

Application
Do you have application information on this product that you would like to share?
Caution
Injecting a compatible solvent directly into the vial permits preparation of any desired strength solution without exposure.
包装
Packaged in a 100 mL serum bottle with butyl rubber stopper and aluminum tear seal.
Reconstitution
Dissolving the contents in 100 mL of solvent yields a 1% solution.
Biochem/physiol Actions
环磷酰胺是一种广泛用于癌症化疗的具有细胞毒性的氮芥衍生物。它可与 DNA 交联、导致链断裂并诱导突变。其临床活性与乙醛脱氢酶 1 (ALDH1) 的活性降低相关。
法律信息
Isopac is a registered trademark of Sigma-Aldrich Co. LLC

C0768

包装
1, 5, 10, 25 g in glass bottle
Biochem/physiol Actions
环磷酰胺是一种广泛用于癌症化疗的具有细胞毒性的氮芥衍生物。它可与 DNA 交联、导致链断裂并诱导突变。其临床活性与乙醛脱氢酶 1 (ALDH1) 的活性降低相关。

218707

Features and Benefits
Cancer research tool.
Biochem/physiol Actions
Cyclophosphamide is a cytotoxic nitrogen mustard derivative widely used in cancer chemotherapy. It cross-links DNA, causes strand breakage, and induces mutations. Its clinical activity is associated with a decrease in aldehyde dehydrogenase 1 (ALDH1) activity.

29875

Biochem/physiol Actions
Cyclophosphamide is a cytotoxic nitrogen mustard derivative widely used in cancer chemotherapy. It cross-links DNA, causes strand breakage, and induces mutations. Its clinical activity is associated with a decrease in aldehyde dehydrogenase 1 (ALDH1) activity.

TRC

C988580

It is a cytotoxic nitrogen mustard derivative widely used in cancer chemotherapy. It cross-links DNA, causes strand breakage, and induces mutations. Its clinical activity is associated with a decrease in aldehyde dehydrogenase 1 (ALDH1) activity. This sub

Molecule Details

References

PubChem Literature

From Data Sources

• Fraiser, L.H., et al.: Drugs, 42, 781 (1962)

• Wheeler, A.G., et al.: Toxicol. Appl. Pharmacol., 4, 324 (1962)

• Colvin, O.M., et al.: Curr. Pharmaceut. Design, 5, 555 (1962)

References

Bioactivity

PubChem BioAssay

Bioactivity