Name: TP-3654 - 10mM in DMSO , CAS No.1361951-15-6
SKU: T421375
Availability: InStock

TP-3654 - 10mM in DMSO , CAS No.1361951-15-6

CAS: 1361951-15-6 Cat. No.: T421375 分子式: C₂₂H₂₅F₃N₄O 分子量: 418.46 EC番号: 154-681-5 PubChem CID: 66598080

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TP-3654 - 10mM in DMSO CAS No(1361951-15-6) by Aladdin Scientific

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注文可能

GRADE & PURITY 10mM in DMSO

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

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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

TP-3654 is the second-generationPIMinhibitor with Kivalues of 5 nM, 239 nM, and 42 nM for PIM-1, PIM-2 and PIM-3, respectively.

Targets

Pim1 (Cell-free assay); Pim3 (Cell-free assay); Pim2 (Cell-free assay) 5 nM(Ki); 42 nM(Ki); 239 nM(Ki)

Specifications

同義語

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

TP-3654 is the second-generation PIM inhibitor with K_i values of 5 nM, 239 nM, and 42 nM for PIM-1, PIM-2 and PIM-3, respectively.

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。

製品の性質

ALogP	4.874
HBD数	1
回転可能な結合	5

名前と識別子

パブケム・シド	528767425
カノニカル・スマイル	CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O
IUPAC Name	2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
InChIKey	XRNVABDYQLHODA-UHFFFAOYSA-N
INCHI	1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)
異性体SMILES	CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O
PubChem CID	66598080
分子量	418.46

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 分類 Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	Trifluoromethylbenzenes Secondary alkylarylamines Aminopyridazines N-substituted imidazoles Imidolactams Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	4-phenylimidazole - 5-phenylimidazole - Trifluoromethylbenzene - Secondary aliphatic/aromatic amine - Aminopyridazine - Imidolactam - Benzenoid - Pyridazine - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

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レビュー

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DMSO（mg / mL）最大溶解度	84
DMSO（mM）最大溶解度	200.736032117765
水（mg / mL）最大溶解度	＜1
分子量	418.500 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	418.198 Da
Monoisotopic Mass	418.198 Da
Topological Polar Surface Area	62.500 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	579.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1