A66 - ≥98% , CAS No.1166227-08-2

CAS: 1166227-08-2 Cat. No.: A128051 Molecular Weight: 393.53 PubChem CID: 42636535
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AKOS025293511 | BDBM50042922 | CHEBI:91449 | C71541 | SMR004702785 | s2636 | SCHEMBL14833311 | A66, >=98% (HPLC) | BA41291 | A66;CCT128930 | AC-33133 | EX-A1124 | (S)-N1-(2-(tert-butyl)-4'-methyl-[4,5'-bithiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide | AS-7
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
1mg
A128051-1mg
3
$31.90
5mg
A128051-5mg
3
$71.90
10mg
A128051-10mg
3
$113.90
25mg
A128051-25mg
2
$216.90
50mg
A128051-50mg
2
$329.90
100mg
A128051-100mg
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$656.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

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Literature proof

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

Specifications

Synonyms
AKOS025293511 | BDBM50042922 | CHEBI:91449 | C71541 | SMR004702785 | s2636 | SCHEMBL14833311 | A66, >=98% (HPLC) | BA41291 | A66;CCT128930 | AC-33133 | EX-A1124 | (S)-N1-(2-(tert-butyl)-4'-methyl-[4, 5'-bithiazol]-2'-yl)pyrrolidine-1, 2-dicarboxamide | AS-7
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Potent and selective PI 3-kinase p110αinhibitor (IC50= 32 nM). Exhibits >100-fold selectivity for p110αover other PI 3-kinase isoforms. Inhibits Akt signaling and tumor growth in SK-OV-3 xenografts in mice. A66 is a potent and highly selective inhibitor o
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.
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Pubchem Sid504770203
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504770203
Canonical SmilesCC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CSC(=N3)C(C)(C)C
IUPAC Name(2S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
InChIKeyHBPXWEPKNBHKAX-NSHDSACASA-N
INCHI1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
Isomeric SMILES CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CSC(=N3)C(C)(C)C
PubChem CID 42636535
Molecular Weight 393.53

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 ParentProline and derivatives
Alternative Parents Alpha amino acid amides  Pyrrolidinecarboxamides  2,4,5-trisubstituted thiazoles  2,4-disubstituted thiazoles  Heteroaromatic compounds  Ureas  Primary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Proline or derivatives - Alpha-amino acid amide - 2,4,5-trisubstituted 1,3-thiazole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine-1-carboxamide - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Pyrrolidine - Thiazole - Primary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Urea - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALB Tchem Serum albumin (2651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3C2B Tchem Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide (438 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3C2A Tchem Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit alpha (139 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3C2G Tchem Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing subunit gamma (327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pik3cb Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (66 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:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot NumberCertificate TypeDateItem
A2212042Certificate of AnalysisJul 15, 2025 A128051
A2212043Certificate of AnalysisJul 15, 2025 A128051
A2212044Certificate of AnalysisJul 15, 2025 A128051
A2212064Certificate of AnalysisJul 15, 2025 A128051
A2212245Certificate of AnalysisJul 15, 2025 A128051
A2212506Certificate of AnalysisJul 15, 2025 A128051
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 39.35, Max Conc. mM: 100
Molecular Weight393.500 g/mol
XLogP32.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass393.129 Da
Monoisotopic Mass393.129 Da
Topological Polar Surface Area158.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity556.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

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