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N-(2-CHLOROETHYL)-N'-(3-PYRIDINYL)UREA, also known as Timonacic, is a urea derivative with the molecular formula C8H10ClN3O. It is a chemical compound with potential antineoplastic activity, which has been studied for its ability to inhibit the growth of cancer cells by disrupting the replication and repair of DNA, thereby promoting cell death.

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  • 13908-58-2 Structure
  • Basic information

    1. Product Name: N-(2-CHLOROETHYL)-N'-(3-PYRIDINYL)UREA
    2. Synonyms: N-(2-CHLOROETHYL)-N'-(3-PYRIDINYL)UREA;N-(2-Chloroethyl)-N'-pyridin-3-ylurea;1-(2-Chloroethyl)-1-(pyridin-3-yl)urea
    3. CAS NO:13908-58-2
    4. Molecular Formula: C8H10ClN3O
    5. Molecular Weight: 199.6375
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 13908-58-2.mol
  • Chemical Properties

    1. Melting Point: 143-144
    2. Boiling Point: 322.5 °C at 760 mmHg
    3. Flash Point: 148.9 °C
    4. Appearance: /
    5. Density: 1.309g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: N-(2-CHLOROETHYL)-N'-(3-PYRIDINYL)UREA(CAS DataBase Reference)
    10. NIST Chemistry Reference: N-(2-CHLOROETHYL)-N'-(3-PYRIDINYL)UREA(13908-58-2)
    11. EPA Substance Registry System: N-(2-CHLOROETHYL)-N'-(3-PYRIDINYL)UREA(13908-58-2)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 13908-58-2(Hazardous Substances Data)

13908-58-2 Usage

Uses

Used in Oncology:
N-(2-CHLOROETHYL)-N'-(3-PYRIDINYL)UREA is used as a chemotherapy agent for its potential antineoplastic activity. It is particularly effective in inhibiting the growth of various types of cancer cells by disrupting their DNA replication and repair mechanisms.
Used in Combination Therapy:
N-(2-CHLOROETHYL)-N'-(3-PYRIDINYL)UREA is also being investigated for its potential use in combination with other chemotherapy drugs. This combination therapy aims to improve cancer treatment outcomes by enhancing the efficacy of existing treatments and overcoming drug resistance in cancer cells.

Check Digit Verification of cas no

The CAS Registry Mumber 13908-58-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,9,0 and 8 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 13908-58:
(7*1)+(6*3)+(5*9)+(4*0)+(3*8)+(2*5)+(1*8)=112
112 % 10 = 2
So 13908-58-2 is a valid CAS Registry Number.

13908-58-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(2-Chloroethyl)-N'-(3-pyridinyl)urea

1.2 Other means of identification

Product number -
Other names N-(2-chloroethyl)-N'-(3-pyridyl) urea

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13908-58-2 SDS

13908-58-2Relevant articles and documents

Design, synthesis, and structure-activity relationship of pyridyl imidazolidinones: A novel class of potent and selective human enterovirus 71 inhibitors

Shia, Kak-Shan,Li, Wen-Tai,Chang, Chung-Ming,Hsu, Ming-Chu,Chern, Jyh-Haur,Leong, Max K.,Tseng, Sung-Nien,Lee, Chung-Chi,Lee, Yen-Chun,Chen, Shu-Jen,Peng, Kuan-Chang,Tseng, Huan-Yi,Chang, Yi-Ling,Tai, Chia-Liang,Shih, Shin-Ru

, p. 1644 - 1655 (2002)

When skeletons of Win compounds were used as templates, computer-assisted drug design led to the identification of a novel series of imidazolidinone derivatives with significant antiviral activity against enterovirus 71 (EV 71), the infection of which had

Inhibitors of CYP 17

-

Page/Page column 14, (2011/01/05)

The present invention provides compounds of Formula (I) and (II), or a pharmaceutically acceptable salts thereof, where R53, R54, p, q, and n are as defined herein. The compounds of the present invention have been found to be useful as 17α-hydroxylase/C17,20-lyase inhibitors.

1, 3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17

-

Page/Page column 37-38, (2011/01/12)

The present invention provides compounds of Formula (I) and (II), or a pharmaceutically acceptable salts thereof, where R53, R54, p, q and n are as defined herein. The compounds of the present invention have been found to be useful as 17α-hydroxylase/C17,20-lyase inhibitors.

Design and efficient synthesis of novel arylthiourea derivatives as potent hepatitis C virus inhibitors

Kang, Iou-Jiun,Wang, Li-Wen,Hsu, Sheng-Ju,Lee, Chung-Chi,Lee, Yen-Chun,Wu, Yen-Shian,Yueh, Andrew,Wang, Jing-Chyi,Hsu, Tsu-An,Chao, Yu-Sheng,Chern, Jyh-Haur

scheme or table, p. 6063 - 6068 (2010/06/13)

A novel class of arylthiourea HCV inhibitors bearing various functionalities, such as cyclic urea, cyclic thiourea, urea, and thiourea, on the alkyl linker were designed and synthesized. Herein we report the synthesis and structure-activity relationships

Imidazolidinones as brain activators

-

, (2008/06/13)

This invention relates to imidazolidinone compounds of the formula STR1 wherein Q is methylene group or a single bond: R is a heterocyclic group selected from the group consisting of pyridyl, pyridazinyl, pyrimidinyl, pyrazinyl and 1,3-thiazolyl which may be unsubstituted or with a substituent selected from the group consisting of lower alkyl, lower alkoxy and halogen atom, wherein R is bonded to Q or, when Q is a single bond, to the imidazolidinone ring, through the carbon atom of R; the ring A is an unsubstituted phenyl or a substituted phenyl having 1 or 2 substituent(s) selected from the group consisting of lower alkyl, lower alkoxy, halogen, lower alkylthio, trihalogeno-lower alkyl and nitro; Y is vinylene group or ethynylene; m is a integer from 1 to 6 and n is 0, 1 or 2, or a pharmacetically acceptable salt thereof. These compounds aer useful as cerebral activators, anti-depressants and nootropic drugs.

Synthesis of nitrosourea derivatives of pyridine and piperidine as potential anticancer agents.

Crider,Lamey,Floss,Cassady,Bradner

, p. 848 - 851 (2007/10/02)

Nitrosourea derivatives 18-22 which utilize either a piperidine or pyridine ring as a carrier group were synthesized and evaluated for anticancer activity. N'-(1-Benzyl-4-piperidinyl)-N-(2-chloroethyl)-N-nitosourea hydrogen maleate (19) exhibited good activity against intracranial L1210 leukemia as well as the mouse ependymoblastoma brain tumor system. Compound 19 exhibited comparable activity in the Lewis lung carcinoma system to N,N'-bis(2-chloroethyl)-N-nitrosourea. Replacement of the N-benzyl group in both the 3-piperidinyl- and 4-piperidinylnitrosoureas resulted in less active compounds in all tumor systems tested. The 3-pyridylnitrosourea 22 was inactive in the L-1210 leukemia system.

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