CAS 29069-24-7|[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyc

Introduction：Basic information about CAS 29069-24-7|[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyc, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Synonyms

Common Name	[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
CAS Number	29069-24-7	Molecular Weight	646.64100
Density	1.3g/cm3	Boiling Point	791.5ºC at 760 mmHg
Molecular Formula	C₃₅H₄₅Cl₂NO₆	Melting Point	163-164ºC
MSDS	/	Flash Point	432.5ºC

Names

Name	prednimustine
Synonym	More Synonyms

BiologicalActivity

Description	Prednimustine (Leo 1031;NSC 134087) is the ester formed from Prednisolone (HY-17463) and Chlorambucil (HY-13593). Prednimustine can be used for leukemias and lymphomas research[1].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Cell Cycle/DNA Damage >>DNA Alkylator/Crosslinker
In Vivo	Prednimustine (120 mg/kg; s.c.; single dose) shows much less toxic than equimolar doses of Chlorambucil (HY-13593) (60 mg/kg; s.c.; single dose) in non-tumour-bearing rat model, due to differences in alkylating agent pharmacokinetics[1]. Prednimustine (40 mg/kg; s.c.; single dose) produces low plasma concentrations (less than 5 microM) of the alkylating metabolites chlorambucil and phenyl acetic mustard, which were maintained for 48 h in rats bearing the sensitive strain of the Walker 256 carcinosarcoma grown as an ascites[1]. Prednimustine (40 mg/kg;s.c.; single dose; measured at 72 h) shows antitumor effect in rats model with the alkylating agent-resistant strain of the Yoshida sarcoma[1]. Animal Model: Female Wistar rats non-tumour-bearing (150-200g)[1] Dosage: 120 mg/kg Administration: Subcutaneous injection; single dose; observed at day 21 Result: Remained 100% survival of rats, while 0% survival for Chlorambucil treatment group. Animal Model: Female Wistar rats bearing the alkylating agent-resistant strain of the Yoshida sarcoma (150-200g)[1] Dosage: 40 mg/kg Administration: Subcutaneous injection; single dose Result: Killed 57% of the resistant tumour cells.

Chemical & Physical Properties

Density	1.3g/cm3
Boiling Point	791.5ºC at 760 mmHg
Melting Point	163-164ºC
Molecular Formula	C₃₅H₄₅Cl₂NO₆
Molecular Weight	646.64100
Flash Point	432.5ºC
Exact Mass	645.26200
PSA	104.14000
LogP	5.41540
Vapour Pressure	2.08E-26mmHg at 25°C
Index of Refraction	1.606
InChIKey	HFVNWDWLWUCIHC-GUPDPFMOSA-N
SMILES	CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TU4153000

CHEMICAL NAME :: Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-(4-(p-(bis(2-chloroethyl)amino) phenyl)butyrate)

CAS REGISTRY NUMBER :: 29069-24-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C35-H45-Cl2-N-O6

MOLECULAR WEIGHT :: 646.71

WISWESSER LINE NOTATION :: L E5 B666 OV AHTTT&J A1 CQ E1 FV1OV3R DN2G2G& FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 16 mg/kg/4W

TOXIC EFFECTS :: Behavioral - euphoria Blood - leukopenia Blood - thrombocytopenia

REFERENCE :: JNMDBO Journal of Medicine (Westbury, NY). (PJD Pub., Ltd., POB 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 8,115,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 530 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 1,137,1976

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 128 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJCAAH European Journal of Cancer. (Oxford, UK) V.1-17(6), 1965-1981. For publisher information, see EJCODS. Volume(issue)/page/year: 13,873,1977

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 128 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: EJCAAH European Journal of Cancer. (Oxford, UK) V.1-17(6), 1965-1981. For publisher information, see EJCODS. Volume(issue)/page/year: 13,873,1977 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990

Synonyms

precorrin-6y

3,7,12,17-Corrintetrapropanoic acid,2,8,13,18-tetrakis(carboxymethyl)-7,8,11,12-tetradehydro-9,10,11,22-tetrahydro-3,9,13,18,19-pentamethyl-,(1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))

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