PI-3065 - Moligand™, 10mM in DMSO , Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta, CAS No.955977-50-1, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta

CAS: 955977-50-1 Cat. No.: P427071 분자식: C27H31FN6OS 분자량: 506.64 PubChem CID: 24937012
주문 가능
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
6-[[4-(Cyclopropylmethyl)-1-piperazinyl]methyl]-2-(5-fluoro-1H-indol-4-yl)-4-(4-morpholinyl)-thieno[3,2-d]pyrimidine
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
독일 (EU)*
Price
Qty
1ml
P427071-1ml
2 재고 있음
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US$164.90

US$241.90
저장 US$77.00 (31.83%)
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

동의어
6-[[4-(Cyclopropylmethyl)-1-piperazinyl]methyl]-2-(5-fluoro-1H-indol-4-yl)-4-(4-morpholinyl)-thieno[3,2-d]pyrimidine
사양 및 순도
Moligand™, 10mM in DMSO
생화학 및 생리적 메커니즘
Potent and selective PI 3-kinase p110δinhibitor (IC50= 5 nM; Ki= 1.5 nM). Exhibits >100-fold selectivity over p100α, p100γand p100βisoforms (IC50values are 600, 910, >10,000 nM, respectively). Attenuates 4TI tumor growth and metastasisin vivo.
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
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등급
Moligand™
작업 유형
INHIBITOR
작동 메커니즘
Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta
이름과 식별자
Pubchem Sid528766643
정식 스마일C1CC1CN2CCN(CC2)CC3=CC4=C(S3)C(=NC(=N4)C5=C(C=CC6=C5C=CN6)F)N7CCOCC7
IUPAC Name4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
InChIKeyYDNOHCOYQVZOMC-UHFFFAOYSA-N
INCHI1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2
이성체 SMILES C1CC1CN2CCN(CC2)CC3=CC4=C(S3)C(=NC(=N4)C5=C(C=CC6=C5C=CN6)F)N7CCOCC7
PubChem CID 24937012
분자량 506.64

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
분류Thienopyrimidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThienopyrimidines
Alternative Parents Indoles  2,3,5-trisubstituted thiophenes  Dialkylarylamines  Aminopyrimidines and derivatives  N-alkylpiperazines  Aralkylamines  Morpholines  Imidolactams  Aryl fluorides  Benzenoids  Pyrroles  Heteroaromatic compounds  Trialkylamines  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole - Indole or derivatives - Thienopyrimidine - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - 1,4-diazinane - Morpholine - Oxazinane - Piperazine - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Azacycle - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
PIK3CB Tchem Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIK3R1 Tchem PI3-kinase p110-alpha/p85-alpha (2589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량506.600 g/mol
XLogP33.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass506.226 Da
Monoisotopic Mass506.226 Da
Topological Polar Surface Area88.800 Ų
Heavy Atom Count36
Formal Charge0
Complexity748.000
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
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고객 리뷰

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