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

• ChemBase ID: 73282
• Molecular Formular: C7H17Cl2N2O3P
• Molecular Mass: 279.101241
• Monoisotopic Mass: 278.0353844
• SMILES: C1CNP(=O)(OC1)N(CCCl)CCCl.O
• Canonical SMILES: ClCCN(P1(=O)NCCCO1)CCCl.O
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[bis(2-chloroethyl)amino]-1,3,2$l^{5}-oxazaphosphinan-2-one hydrate; 2-[bis(2-chloroethyl)amino]-1,3,2λ^5-oxazaphosphinan-2-one hydrate
• IUPAC Traditional name: cyclophosphamide hydrate
• Synonyms: Cyclophosphamide monohydrate; N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-Oxide Monohydrate; Cycloblastin; Cyclostin; Endoxan; Genoxal; Hexadrin; Mitoxan; NSC 26271; Cyclophosphamide monohydrate; Endoxan A; Cytoxan; 2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide; 2-[bis(2-chloroethyl)amino]-1,3,2$l^{5}-oxazaphosphinan-2-one hydrate; 2-[双(2-氯乙基)氨基]四氢-2H-1,3,2-噁磷-2-氧化物; 环磷酰胺 一水合物

Database IDs

• CAS Number: 6055-19-2
• EC Number: 200-015-4
• MDL Number: MFCD00149395
• Beilstein Number: 4678992
• PubChem SID: 24892961; 162038202; 24278292
• PubChem CID: 22420

CALCULATED PROPERTIES

• Acid pKa: 12.076543
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.09654615
• LogD (pH = 7.4): 0.096539564
• Log P: 0.096547686
• Molar Refractivity: 58.4781 cm^3
• Polarizability: 23.373837 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Alcohol; Benzene; Chloroform; Dioxane; Do you have solubility information on this product that you would like to share?; Ethylene Glycol; H2O: soluble0.1 g/mL, clear, colorless
• Apperance: White to Off-White Solid
• Melting Point: 41-45°C; 49 - 51°C; 49-51 °C(lit.); 49-51°C
• Flash Point: >230°C; 113 °C; 235.4 °F
• Hydrophobicity(logP): 0.803

Safety Information

• Storage Condition: -20°C; 2-8°C; Refrigerator
• RTECS: RP6157750
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; 3464
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 45-25; R:25-45
• Safety Statements: 53-45; S:28-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H350
• GHS Precautionary statements: P201-P301 + P310-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3464 6.1/PG 3
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... ALDH1A1(216), ALDH1B1(219)

Product Information

• Purity: ≥98%; ≥98%; 95%; 97.0-103.0% (HPLC)
• Salt Data: monohydrate
• Empirical Formula (Hill Notation): C7H15Cl2N2O2P · H2O

DETAILS

MP Biomedicals - 02150749

Monohydrate
Purity: 98+%
Cancer research tool.

Selleck Chemicals - S2057

Research Area: Cancer
Biological Activity:

Sigma Aldrich - 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。

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

Sigma Aldrich - 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.

Sigma Aldrich - 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.

Toronto Research Chemicals - 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

REFERENCES

• Wheeler, A.G., et al.: Toxicol. Appl. Pharmacol., 4, 324 (1962)
• Fraiser, L.H., et al.: Drugs, 42, 781 (1962)
• Colvin, O.M., et al.: Curr. Pharmaceut. Design, 5, 555 (1962)