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Nimustine structure, CAS 42471-28-3

Nimustine

CAS Number42471-28-3

SynonymsEINECS 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

Molecular FormulaC9H13ClN6O2

Molecular Weight272.69 (free base basis)

Purity≥95 (HPLC)%

Density1.52g/cm3

Boiling Point

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9011673 Purity: ≥95 (HPLC)%
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Quality Control of [ 42471-28-3 ] Purity: ≥95 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number42471-28-3
Catalog No.2A-9011673
Chinese Name尼莫司汀
SynonymsEINECS 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
Molecular FormulaC9H13ClN6O2
Molecular Weight272.69 (free base basis)
Purity≥95 (HPLC)
Density1.52g/cm3
Appearancepowder
ApplicationNimustine is a nitrosourea alkylating agent. Nimustine induces apoptosis and activates DNA damage response and MAPK signaling. Nimustine has anti-cancer effects and can be used in cancer research[1][2
HTC2933599090
SMILESCc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1
InChIInChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)
InChI KeyVFEDRRNHLBGPNN-UHFFFAOYSA-N
MSDSmsds/11673_1_42471_28_3.pdf
Use ofNimustine 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]. Properties Name nimustine Synonym More Synonyms Nimustine Hydrochloride Biological Activity 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]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer Chemical & Physical Properties Exact Mass 272.07900 PSA 113.57000 LogP 1.77110 InChIKey VFEDRRNHLBGPNN-UHFFFAOYSA-N SMILES Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : 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. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C9-H13-Cl-N6-O2 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported 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 : 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 Safety Information Hazard Codes T: Toxic; Risk Phrases R25 WGK Germany 3 RTECS YR8450000 HS Code 2933599090 Synthetic Route Total: 1 Page Urea,N-[(4-amin... CAS#:42471-43-2 Nimustine Hydro... CAS#:42471-28-3 Literature: Sankyo Company Limited Patent: US4003901 A1, 1977 ; Precursor & DownStream Precursor 1 CAS#:42471-43-2 Urea,N-[(4-amin... DownStream 0
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: 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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