PQR620 - 10mM in DMSO , CAS No.1927857-56-4

CAS: 1927857-56-4 Cat. No.: P422357 分子式: C21H25F2N7O2 分子量: 445.47 PubChem CID: 122412735
注文可能
GRADE & PURITY 10mM in DMSO
Synonyms
2-​Pyridinamine,5-​[4,​6-​bis(3-​oxa-​8-​azabicyclo[3.2.1]​oct-​8-​yl)​-​1,​3,​5-​triazin-​2-​yl]​-​4-​(difluoromethyl)​-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
USA
ドイツ (EU)*
Price
Qty
1ml
P422357-1ml
1 在庫あり
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$164.90

$241.90
保存 $77.00 (31.83%)
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Why this grade

10mM in DMSO 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.

概要

Information

PQR620 is a novel, selective, orally bioavailable and brain penetrant dualTORC1/2inhibitor. PQR620 has anti-tumor activity across 56 lymphoma models with a median IC50 of 250 nM after 72 h of exposure.

Targets

TORC1 (Cell-based assay); TORC2 (Cell-free assay) 250 nM; 250 nM

In vitro

PQR620 is a novel brain penetrant dual TORC1/2 inhibitor with anti-tumor activity across 56 lymphoma cell lines with a median IC50 value of 250 nM after 72 h of exposure.

In vivo

PQR620 has in vivo anti-lymphoma activity and in vivo synergism with the BCL2 inhibitor venetoclax. The combination of PQR620 and venetoclax have stronger in vivo anti-tumor activity than the single agents in a xenograft model of GCB-DLBCL.

Cell Research(from reference)

Cell lines:56 lymphoma cell lines, ABC-DLBCL cell lines (TMD8, Ri-1), GCB-DLBCL cell lines (OCI-LY-1,SU-DHL-6, DoHH2) 

Concentrations:2 μM 

Incubation Time:24 h, 72 h 

Specifications

同義語
2-​Pyridinamine,5-​[4,​6-​bis(3-​oxa-​8-​azabicyclo[3.2.1]​oct-​8-​yl)​-​1,​3,​5-​triazin-​2-​yl]​-​4-​(difluoromethyl)​-
仕様と純度
10mM in DMSO
生化学的・生理学的メカニズム
PQR620 is a novel, selective, orally bioavailable and brain penetrant dual TORC1/2 inhibitor. PQR620 has anti-tumor activity across 56 lymphoma models with a median IC50 of 250 nM after 72 h of exposure.
保管条件
Store at -80°C
入荷
Dry ice packs + Cold packs
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
INHIBITOR
製品の性質
ALogP
2.434
HBD数
1
回転可能な結合
4
名前と識別子
パブケム・シド
カノニカル・スマイル
C1CC2COCC1N2C3=NC(=NC(=N3)C4=CN=C(C=C4C(F)F)N)N5C6CCC5COC6
IUPAC Name
5-[4,6-bis[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine
InChIKey
UGDKPWVVBKHRDK-KPWCQOOUSA-N
INCHI
1S/C21H25F2N7O2/c22-18(23)15-5-17(24)25-6-16(15)19-26-20(29-11-1-2-12(29)8-31-7-11)28-21(27-19)30-13-3-4-14(30)10-32-9-13/h5-6,11-14,18H,1-4,7-10H2,(H2,24,25)/t11-,12+,13-,14+
PubChem CID
122412735
分子量
445.47

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
分類Pyridines and derivatives
SubclassHalopyridines
Intermediate Tree Nodes Not available
Direct ParentPolyhalopyridines
Alternative Parents Dialkylarylamines  Oxepanes  Halo-S-triazines  Aminotriazines  2-halopyridines  Morpholines  Imidolactams  Pyrrolidines  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Dialkyl ethers  Carboximidamides  Azacyclic compounds  Amidines  Primary amines  Organopnictogen compounds  Organofluorides  Imines  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halo-s-triazine - 2-halopyridine - Oxepane - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Imidolactam - Triazine - Oxazinane - Morpholine - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Ether - Dialkyl ether - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
DMSO(mg / mL) 最大溶解度20
DMSO(mM) 最大溶解度44.8964015534155
水(mg / mL) 最大溶解度˂1
分子量445.500 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass445.204 Da
Monoisotopic Mass445.204 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity616.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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