3Uaa36fhf1 , C-C chemokine receptor type 2 antagonist, CAS No.1386991-77-0, C-C chemokine receptor type 2 antagonist

CAS: 1386991-77-0 Cat. No.: U671367 Molecular Weight: 542.6
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Synonyms
3UAA36FHF1 | N-(5-(Isopropyl(methyl)amino)-2-(2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)methanesulfonamide | UNII-3UAA36FHF1 | BMS 741672 | BMS741672 | BDBM50509862 | CHEMBL4457723
Storage
Room temperature
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Size
Status
Price
Qty
1mg
U671367-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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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.

Specifications

Synonyms
3UAA36FHF1 | N-(5-(Isopropyl(methyl)amino)-2-(2-oxo-3-((6-(trifluoromethyl)quinazolin-4-yl)amino)pyrrolidin-1-yl)cyclohexyl)methanesulfonamide | UNII-3UAA36FHF1 | BMS 741672 | BMS741672 | BDBM50509862 | CHEMBL4457723
Storage
Room temperature
Action Type
ANTAGONIST
Mechanism of action
C-C chemokine receptor type 2 antagonist
Product Properties
ALogP3.4
Names and Identifiers
Canonical SmilesCC(C)N(C)C1CCC(C(C1)NS(=O)(=O)C)N2CCC(C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)F
IUPAC NameN-[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]methanesulfonamide
InChIKeyPJTGSIKANITYOO-RCOXNQKVSA-N
INCHI1S/C24H33F3N6O3S/c1-14(2)32(3)16-6-8-21(20(12-16)31-37(4,35)36)33-10-9-19(23(33)34)30-22-17-11-15(24(25,26)27)5-7-18(17)28-13-29-22/h5,7,11,13-14,16,19-21,31H,6,8-10,12H2,1-4H3,(H,28,29,30)/t16-,19+,20-,21+/m1/s1
Isomeric SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NS(=O)(=O)C)N2CC[C@@H](C2=O)NC3=NC=NC4=C3C=C(C=C4)C(F)(F)F
Molecular Weight 542.6
Reaxy-Rn 34287043
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34287043&ln=

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
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid amides
Alternative Parents Quinazolinamines  Secondary alkylarylamines  Cyclohexylamines  Pyrrolidine-2-ones  Pyrimidines and pyrimidine derivatives  N-alkylpyrrolidines  Imidolactams  Benzenoids  Tertiary carboxylic acid amides  Sulfonyls  Organosulfonic acids and derivatives  Heteroaromatic compounds  Trialkylamines  Lactams  Propargyl-type 1,3-dipolar organic compounds  Carboximidamides  Azacyclic compounds  Amidines  Organopnictogen compounds  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alpha-amino acid amide - Quinazolinamine - Diazanaphthalene - Quinazoline - Secondary aliphatic/aromatic amine - Cyclohexylamine - Imidolactam - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CCR2 Tchem C-C chemokine receptor type 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCR2 Tchem C-C chemokine receptor type 2 (5628 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:
Solution Calculators
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