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CAS

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76823-94-4

3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDIC ACID METHYL ESTER is a chemical compound with a complex structure that features a guanidino-thiazolyl-methyl-thio group attached to a propanenimidicarboxylic acid methyl ester moiety. 3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER is characterized by its unique chemical properties and potential applications in various fields.

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  • METHYL3-{[2-(DIAMINOMETHYLENEAMINO)THIAZOL-4-YL]METHYLTHIO}PROPANIMIDATE

    Cas No: 76823-94-4

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  • 76823-94-4 Structure

  • Basic information

    1. Product Name: 3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER
    2. Synonyms: 3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER;3-(((2-((Aminoimi-nomethyl)amino)-4-thiazolyl)methyl)thio)propanimidic acid;3-(((2-Guanidino-4-thiazolyl)methyl)thio)propanimidic acid methyl ester;3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-propanimidic aci;3-[[[2-[(AMinoiMinoMethyl)aMino]-4-thiazolyl]Methyl]thio]propaniMidic Acid Methyl Ester;DediaMinosulfonyl HydroxyMethyl FaMotidine
    3. CAS NO:76823-94-4
    4. Molecular Formula: C9H15N5OS2
    5. Molecular Weight: 273.38
    6. EINECS: N/A
    7. Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals
    8. Mol File: 76823-94-4.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 416.8°C at 760 mmHg
    3. Flash Point: 205.9°C
    4. Appearance: /
    5. Density: 1.49g/cm3
    6. Vapor Pressure: 3.72E-07mmHg at 25°C
    7. Refractive Index: 1.69
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 8.53±0.70(Predicted)
    11. CAS DataBase Reference: 3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER(76823-94-4)
    13. EPA Substance Registry System: 3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER(76823-94-4)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 76823-94-4(Hazardous Substances Data)

76823-94-4 Usage

Uses

Used in Pharmaceutical Industry:
3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDIC ACID METHYL ESTER is used as an impurity in the synthesis of Famotidine (F102250), a histamine H2-receptor antagonist. It plays a crucial role in the development and production of this medication, which is commonly used to treat conditions such as gastric ulcers, gastroesophageal reflux disease (GERD), and other acid-related disorders.
Used in Research and Development:
3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER is also utilized in research and development settings, where it can be studied for its potential applications in various fields, such as medicinal chemistry, drug discovery, and the development of new therapeutic agents. Its unique structure and properties make it an interesting candidate for further investigation and exploration.

Check Digit Verification of cas no

The CAS Registry Mumber 76823-94-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,6,8,2 and 3 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 76823-94:
(7*7)+(6*6)+(5*8)+(4*2)+(3*3)+(2*9)+(1*4)=164
164 % 10 = 4
So 76823-94-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H15N5OS2/c1-15-7(10)2-3-16-4-6-5-17-9(13-6)14-8(11)12/h5,10H,2-4H2,1H3,(H4,11,12,13,14)

76823-94-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidate

1.2 Other means of identification

Product number -
Other names methyl 3-[[[2-[(diaminomethylene)amino]-4-thiazolyl]methyl]thio]propionimidate

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:76823-94-4 SDS

76823-94-4Relevant articles and documents

NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR

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Paragraph 0594-0595, (2016/08/17)

[Problem] The present invention addresses the problem of providing a novel compound. The present invention also addresses the problem of providing an OCT3 detection agent or an OCT3 activity inhibitor, which comprises the novel compound. [Solution] A compound represented by formula (A), a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable solvate thereof. ????????R1-R2-R3-R4?????(A)

New-quanidino-thiazol compounds, their preparation, and use as intermediates of famotidine process

-

, (2008/06/13)

New 2-guanidino-thiazol compounds with the general formulas where R° represents an hydrogen atom or an alkyl group of low molecular weight, m = 2 to 7, n = 2 to 4, and being R an alkyl group of low molecular weight and that may contain from one N-alkylsilyl group, that are important intermediates for the famotidine preparation, medically used as inhibitor of the gastric secretion.

2-Guanidinothiazoline compounds, and process for preparing them

-

, (2008/06/13)

Novel 2-guanidinothiazoline compounds of the general formula STR1 wherein R represents a hydrogen atom or a lower alkyl group, and X represents a halogen atom, and the acid addition salts thereof; they are important intermediate compounds for preparing famotidine and thiotidine which are medicaments useful as gastric acid secretion inhibitors.

Histamine H2 receptor antagonists. 1. Synthesis of N-cyano and N-carbamoyl amidine derivatives and their biological activities.

Yanagisawa,Hirata,Ishii

, p. 849 - 857 (2007/10/02)

A large number of N-cyano amidine derivatives were prepared as potential histamine H2 receptor antagonists and evaluated for their inhibitory action on histamine-stimulated chronotropic response of isolated right atria from guinea pigs. Several selected c

GUANIDINOTHIAZOLE COMPOUNDS, AND MEDICAL COMPOSITIONS CONTAINING THEM

-

, (2008/06/13)

Novel guanidinothiazole compounds of the general formula STR1 wherein R represents a hydrogen atom or a lower alkyl group, Y represents a sulfur atom or a methylene group, m and n each represents an integer of 1-3, A represents the group shown by STR2 (wh

GUANIDINOTHIAZOLE COMPOUNDS, PROCESS FOR PREPARATION AND GASTRIC INHIBITING COMPOSITIONS CONTAINING THEM

-

, (2008/06/13)

Novel guanidinothiazole compounds of the general formula STR1 wherein R represents a hydrogen atom or a lower alkyl group, R. sub.1 represents an amino group, a lower alkyl group, a halogeno lower alkyl group, a substituted-or unsubstituted-aryl group, a

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