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KRM-III - ≥99% , CAS No.79220-94-3

CAS: 79220-94-3 Cat. No.: K649648 Molecular Weight: 252.33 EC Number: 663-859-6 PubChem CID: 736689
COA
KRM-III - ≥99% CAS No(79220-94-3) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
CCG-33458 | Tox21_500376 | HMS2873G11 | SR-01000555374-1 | ChemDiv3_012382 | 1,3-Dihydro-1,4-diphenyl-2H-imidazole-2-thione | AKOS001033074 | DTXSID40353087 | BRD-K66012761-001-01-8 | MS-23566 | 1,4-diphenyl-2,3-dihydro-1H-imidazole-2-thione | SMR00056769
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
K649648-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$300.90
25mg
K649648-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,000.90
100mg
K649648-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,300.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

KRM-III is a potent and orally active T-cell antigen receptor (TCR) inhibitor. KRM-III inhibits TCR - and phorbol myristate acetate/ionomycin-induced activation of nuclear factor of activated T cells (NFAT) and T-cell proliferation with an IC 50 of ~5 μM. Anti-inflammatory activity.

Form:Solid

Specifications

Synonyms
CCG-33458 | Tox21_500376 | HMS2873G11 | SR-01000555374-1 | ChemDiv3_012382 | 1, 3-Dihydro-1, 4-diphenyl-2H-imidazole-2-thione | AKOS001033074 | DTXSID40353087 | BRD-K66012761-001-01-8 | MS-23566 | 1, 4-diphenyl-2, 3-dihydro-1H-imidazole-2-thione | SMR00056769
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
KRM-III is a potent and orally active T-cell antigen receptor (TCR) inhibitor. KRM-III inhibits TCR - and phorbol myristate acetate/ionomycin-induced activation of nuclear factor of activated T cells (NFAT) and T-cell proliferation with an IC 50 of ~5 μM.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3
IUPAC Name3,5-diphenyl-1H-imidazole-2-thione
InChIKeyQKOAQVKXZJFMET-UHFFFAOYSA-N
INCHI1S/C15H12N2S/c18-15-16-14(12-7-3-1-4-8-12)11-17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)
Isomeric SMILES C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3
PubChem CID 736689
Molecular Weight 252.33

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentPhenylimidazoles
Alternative Parents N-substituted imidazoles  Imidazolethiones  Benzene and substituted derivatives  Heteroaromatic compounds  Thioureas  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 5-phenylimidazole - 1-phenylimidazole - 4-phenylimidazole - Monocyclic benzene moiety - Imidazole-2-thione - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Thiourea - Azacycle - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PYK Pyruvate kinase (6726 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ddn Putative uncharacterized protein (49 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 100 mg/mL (396.31 mM; Need ultrasonic)
Molecular Weight252.300 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass252.072 Da
Monoisotopic Mass252.072 Da
Topological Polar Surface Area47.400 Ų
Heavy Atom Count18
Formal Charge0
Complexity338.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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