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5-Amino-2-mercapto-1-methyl-1H-imidazole-4-carboxamide - 95%, high purity , CAS No.52868-67-4

COA COA
    Grade & Purity:
  • ≥95%
In stock
Item Number
A479140
Grouped product items
SKU Size
Availability
 Price Qty
A479140-250mg
250mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$42.90
A479140-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$143.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Basic Description

Specifications & Purity ≥95%
Legal Information Product of ChemBridge Corp.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic acids and derivatives
Class Carboxylic acids and derivatives
Subclass Carboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid amides
Direct Parent 2-heteroaryl carboxamides
Alternative Parents Carbonylimidazoles  N-substituted imidazoles  Imidazolethiones  Aminoimidazoles  Vinylogous amides  Heteroaromatic compounds  Thioureas  Primary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Primary amines  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Aminoimidazole - Imidazole-2-thione - N-substituted imidazole - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Thiourea - Primary carboxylic acid amide - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
External Descriptors Not available

Associated Targets(Human)

A498 (42825 Activities)
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ACHN (49357 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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MDA-N (28205 Activities)
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Malme-3M (44254 Activities)
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MDA-MB-231 (73002 Activities)
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SNB-75 (44215 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 4-amino-3-methyl-2-sulfanylidene-1H-imidazole-5-carboxamide
INCHI InChI=1S/C5H8N4OS/c1-9-3(6)2(4(7)10)8-5(9)11/h6H2,1H3,(H2,7,10)(H,8,11)
InChIKey MPKNJHKYEJNMND-UHFFFAOYSA-N
Smiles CN1C(=C(NC1=S)C(=O)N)N
Isomeric SMILES CN1C(=C(NC1=S)C(=O)N)N
WGK Germany 3
Molecular Weight 172.21
Reaxy-Rn 149624
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=149624&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 172.210 g/mol
XLogP3 -0.900
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 172.042 Da
Monoisotopic Mass 172.042 Da
Topological Polar Surface Area 116.000 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 259.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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