PQR530 , CAS No.1927857-61-1

CAS: 1927857-61-1 Cat. No.: P412809 분자식: C18H23F2N7O2 분자량: 407.4 PubChem CID: 121334433
주문 가능
Synonyms
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
1mg
P412809-1mg
주문제작 · 8~12주
US$28.90
5mg
P412809-5mg
주문제작 · 8~12주
US$67.90
25mg
P412809-25mg
주문제작 · 8~12주
US$196.90
100mg
P412809-100mg
주문제작 · 8~12주
US$427.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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.

개요

PQR530 is a potent, ATP-competitive, bioavailable and brain-penetrant dual pan-PI3K/mTORC1/2 inhibitor, with a subnanomolar Kd toward PI3Kα and mTOR (0.84 and 0.33 nM, respectively). Antitumor activity.

Specifications

동의어
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
보관 조건
Store at 2-8°C,Protected from light,Argon charged
배송
Wet ice
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작업 유형
INHIBITOR
이름과 식별자
정식 스마일
CC1COCCN1C2=NC(=NC(=N2)N3CCOCC3)C4=CN=C(C=C4C(F)F)N
IUPAC Name
4-(difluoromethyl)-5-[4-[(3S)-3-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyridin-2-amine
InChIKey
SYKBZXMKAPICSO-NSHDSACASA-N
INCHI
1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1
이성체 SMILES
C[C@H]1COCCN1C2=NC(=NC(=N2)N3CCOCC3)C4=CN=C(C=C4C(F)F)N
PubChem CID
121334433
분자량
407.4

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
분류Triazines
SubclassAminotriazines
Intermediate Tree Nodes Not available
Direct Parent1,3,5-triazine-2,4-diamines
Alternative Parents Dialkylarylamines  Aminopyridines and derivatives  Morpholines  Imidolactams  1,3,5-triazines  Heteroaromatic compounds  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2,4-diamine-s-triazine - Dialkylarylamine - Aminopyridine - 1,3,5-triazine - Imidolactam - Pyridine - Oxazinane - Morpholine - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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)
MTOR Tclin Serine/threonine-protein kinase mTOR (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
A2058 (690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 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
MTOR Tclin mTORC1 (330 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 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:

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

4 results found

Lot NumberCertificate Type날짜항목
I2602715Certificate of AnalysisMar 27, 2026 P412809
I2602730Certificate of AnalysisMar 27, 2026 P412809
I2602736Certificate of AnalysisMar 27, 2026 P412809
I2602737Certificate of AnalysisMar 27, 2026 P412809
화학 및 물리적 특성
감도Light sensitive
분자량407.400 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass407.188 Da
Monoisotopic Mass407.188 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count29
Formal Charge0
Complexity528.000
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
솔루션 계산기
리뷰

고객 리뷰

자주 묻는 질문

How should this product be stored?
Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.
How is this product shipped?
This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1927857-61-1, the molecular formula is C18H23F2N7O2, and the molecular weight is 407.4 g/mol. InChIKey SYKBZXMKAPICSO-NSHDSACASA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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