Introduction：Basic information about CAS 42471-28-3|Nimustine Hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Nimustine Hydrochloride |
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| CAS Number | 42471-28-3 | Molecular Weight | 272.69200 |
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| Density | 1.52g/cm3 | Boiling Point | / |
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| Molecular Formula | C9H13ClN6O2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | nimustine |
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| Synonym | More Synonyms |
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Nimustine Hydrochloride BiologicalActivity
| Description | Nimustine is a nitrosourea alkylating agent. Nimustine induces cell apoptosis, and activates DNA damage response and MAPK signaling. Nimustine shows anti-cancer effects, it can be used for the research of cancer[1][2]. |
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| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer |
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| In Vitro | Nimustine (50 μM; 72-120 h) causes cell death by inducing cell apoptosis[1]. Nimustine (50 μM; 24-96 h) activates the DNA damage response pathway[1]. Nimustine (50 μM; 24-120 h) activates MAPK signaling in glioma cells[1]. Apoptosis Analysis[1] Cell Line: LN-229 cell line Concentration: 50 μM Incubation Time: 72-120 hours Result: Time-dependently induced apoptosis. Western Blot Analysis[1] Cell Line: LN-229 and glioma cell lines Concentration: 50 μM Incubation Time: 24-120 hours Result: Induced cleavage of caspase-8 and -9 and the effector caspase-3. Increased phosphorylation of ERK kinase and H2AX. Decreased phosphorylation of JNK |
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| In Vivo | Nimustine (15 four times a week and 30 mg/kg twice with an interval of 2 weeks; i.v.) effectively inhibits tumor growth and the higher dose is more effective[2]. Animal Model: Female C3H/HeN mice with solid FM3A tumors[2] Dosage: 15 and 30 mg/kg Administration: Intravenous injection; 15 (4 times a week) and 30 mg/kg (twice with an interval of 2 weeks) Result: The intermittent large-dose injections resulted in better inhibition of tumor growth than did the fractionated small-dose injections. |
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Chemical & Physical Properties
| Density | 1.52g/cm3 |
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| Molecular Formula | C9H13ClN6O2 |
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| Molecular Weight | 272.69200 |
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| Exact Mass | 272.07900 |
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| PSA | 113.57000 |
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| LogP | 1.77110 |
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| InChIKey | VFEDRRNHLBGPNN-UHFFFAOYSA-N |
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| SMILES | Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- YR8449000
- CHEMICAL NAME :
- Urea, N'-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(2-chlo roethyl)-N-nitroso-
- CAS REGISTRY NUMBER :
- 42471-28-3
- BEILSTEIN REFERENCE NO. :
- 0685903
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C9-H13-Cl-N6-O2
- MOLECULAR WEIGHT :
- 272.73
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 3 mg/kg
- SEX/DURATION :
- multigeneration
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - rat Cells - not otherwise specified
- DOSE/DURATION :
- 2 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 149,95,1985
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Safety Information
| Hazard Codes | T: Toxic; |
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| Risk Phrases | R25 |
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| Safety Phrases | 36/37/39-45 |
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| RIDADR | UN 2811 6.1/PG 3 |
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| WGK Germany | 3 |
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| RTECS | YR8450000 |
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| HS Code | 2933599090 |
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Customs
| HS Code | 2933599090 |
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| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| EINECS 255-838-1 |
| NIMUSTINE |
| 1-(2-chloroethyl)-1-nitroso-3-[(2-methyl-4-aminopyrimidine-5-yl)methyl]urea |
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea |
| 3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-1-(2-chloro-ethyl)-1-nitroso-urea |
| MFCD01676942 |
| Nimustina |
| Nimustin |
| Nimustinum [INN-Latin] |
| 1-(2-chloro-ethyl)-3-(4-amino-2-methyl-5-pyrimidinyl)methyl-1-nitrosourea |
| Nimustina [INN-Spanish] |
| Nimustine [INN] |
| Nimustinum |
