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CAS

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335030-80-3

ASISCHEM C63549, also known as (2E)-3-(2-aminopyrimidin-5-yl)acrylic acid, is a chemical compound that serves as a key intermediate in the synthesis of Bicyclic Nitrogen Heterocycles. These heterocycles are known as NAMPT inhibitors, which have potential therapeutic applications in the treatment of diseases related to NAMPT expression.

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  • 335030-80-3 Structure

  • Basic information

    1. Product Name: ASISCHEM C63549
    2. Synonyms: CHEMBRDG-BB 4011776;ASISCHEM C63549;(2E)-3-(2-AMINOPYRIMIDIN-5-YL)ACRYLIC ACID;(2E)-3-(2-aminopyrimidin-5-yl)acrylic acid(SALTDATA: FREE)
    3. CAS NO:335030-80-3
    4. Molecular Formula: C7H7N3O2
    5. Molecular Weight: 165.15
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 335030-80-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 464.2°C at 760 mmHg
    3. Flash Point: 234.5ºC
    4. Appearance: /
    5. Density: 1.451g/cm3
    6. Vapor Pressure: 2.05E-09mmHg at 25°C
    7. Refractive Index: 1.703
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 2.62±0.10(Predicted)
    11. CAS DataBase Reference: ASISCHEM C63549(CAS DataBase Reference)
    12. NIST Chemistry Reference: ASISCHEM C63549(335030-80-3)
    13. EPA Substance Registry System: ASISCHEM C63549(335030-80-3)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36
    3. Safety Statements: 26
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 335030-80-3(Hazardous Substances Data)

335030-80-3 Usage

Uses

Used in Pharmaceutical Industry:
ASISCHEM C63549 is used as a key intermediate for the preparation of Bicyclic Nitrogen Heterocycles, which are NAMPT inhibitors. These inhibitors are crucial in the development of treatments for NAMPT expression-related diseases, as they can modulate the activity of NAMPT, a target enzyme involved in various cellular processes and disease pathways.

Check Digit Verification of cas no

The CAS Registry Mumber 335030-80-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,5,0,3 and 0 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 335030-80:
(8*3)+(7*3)+(6*5)+(5*0)+(4*3)+(3*0)+(2*8)+(1*0)=103
103 % 10 = 3
So 335030-80-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+

335030-80-3 Well-known Company Product Price

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  • Aldrich

  • (CBR00472)  (2E)-3-(2-Aminopyrimidin-5-yl)acrylic acid  AldrichCPR

  • 335030-80-3

  • CBR00472-1G

  • 2,767.05CNY

  • Detail

335030-80-3SDS

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 (E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid

1.2 Other means of identification

Product number -
Other names QC-5555

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:335030-80-3 SDS

335030-80-3Downstream Products

335030-80-3Relevant articles and documents

Design, synthesis and X-ray crystallographic study of NAmPRTase inhibitors as anti-cancer agents

You, Hyun,Youn, Hyung-Seop,Im, Isak,Bae, Man-Ho,Lee, Sang-Kook,Ko, Hyojin,Eom, Soo Hyun,Kim, Yong-Chul

experimental part, p. 1153 - 1164 (2011/04/17)

NAmPRTase (PBEF/Visfatin) plays a pivotal role in the salvage pathway of NAD+ biosynthesis. NAmPRTase has been an attractive target for anti-cancer agents that induce apoptosis of tumor cells via a declining plasma NAD+ level. In this report, a series of structural analogs of FK866 (1), a known NAmPRTase inhibitor, was synthesized and tested for inhibitory activities against the proliferation of cancer cells and human NAmPRTase. Among them, compound 7 showed similar anti-cancer and enzyme inhibitory activities to compound 1. Further investigation of compound 7 with X-ray analysis revealed a co-crystal structure in complex with human NAmPRTase, suggesting that Asp219 in the active site of the enzyme could contribute to an additional interaction with the pyrrole nitrogen of compound 7.

FAB I INHIBITORS

-

, (2008/06/13)

Compounds of the formula (I) are disclosed which are Fab I inhibitors and are useful in the treatment of bacterial infections.

Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI)

Miller, William H.,Seefeld, Mark A.,Newlander, Kenneth A.,Uzinskas, Irene N.,Burgess, Walter J.,Heerding, Dirk A.,Yuan, Catherine C. K.,Head, Martha S.,Payne, David J.,Rittenhouse, Stephen F.,Moore, Terrance D.,Pearson, Stewart C.,Berry, Valerie,DeWolf Jr., Walter E.,Keller, Paul M.,Polizzi, Brian J.,Qiu, Xiayang,Janson, Cheryl A.,Huffman, William F.

, p. 3246 - 3256 (2007/10/03)

Bacterial enoyl-ACP reductase (FabI) catalyzes the final step in each cycle of bacterial fatty acid biosynthesis and is an attractive target for the development of new antibacterial agents. Our efforts to identify potent, selective FabI inhibitors began w

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