Name: S55746 - 10mM in DMSO , CAS No.1448584-12-0
SKU: S421658
Availability: InStock

S55746 - 10mM in DMSO , CAS No.1448584-12-0

CAS: 1448584-12-0 Cat. No.: S421658 分子式: C₄₃H₄₂N₄O₆ 分子量: 710.82 PubChem CID: 71654876

イメージギャラリーの最後に移動する

S55746 - 10mM in DMSO CAS No(1448584-12-0) by Aladdin Scientific

イメージギャラリーの最初に移動する

注文可能

GRADE & PURITY 10mM in DMSO

Synonyms

BDBM177786 | S 055746 | s55746 | S-55746 | US9120791, Example 1 | 1448584-12-0 | S55746 (BLC201) | S55746 (S 055746,BCL201) | (S)-N-(4-hydroxyphenyl)-3-(6-(3-(morpholinomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzo[d][1,3]dioxol-5-yl)-N-phenyl-5

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）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

🧪

Why this grade

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

🌡

Storage & shipping

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

概要

Information

S55746 (S 055746,BCL201) is a novel, orally activeBCL-2specific inhibitor (Ki = 1.3 nM) with poor affinity for BCL-XL and no significant binding to MCL-1, BFL-1 (BCL2A1/A1). The selectivity of S55746 for BCL-2 versus BCL-XL ranges from ~70 to 400 folds.

Targets

Bcl-2 (Cell-free assay) 1.3 nM(Ki)

In vitro

S55746 occupies the hydrophobic groove of BCL-2. In a panel of hematological cell lines, S55746 induces hallmarks of apoptosis including externalization of phosphatidylserine, caspase-3 activation and PARP cleavage. S55746 potently induces RS4;11 cell killing after 72 h of treatment with an IC50 of 71.6 nM and exhibits a much weaker activity in H146 (IC50 = 1.7 μM), a BCL-XL-dependent cell line, which expresses a low level of BCL-2 and high level of BCL-XL. It has no cytotoxic activity on BCL-XL-dependent cells, such as platelets.

In vivo

S55746 administered by oral route daily in mice demonstrates robust anti-tumor efficacy in two hematological xenograft models (RS4;11 and Toledo models) with no weight lost and no change in behavior.

Cell Research(from reference)

Cell lines：RS4;11 cells

Concentrations：0.01, 0.03, 0.1, 0.3, 1 μM

Incubation Time：2 hours

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

S55746 (S 055746,BCL201) is a novel, orally active BCL-2 specific inhibitor (Ki = 1.3 nM) with poor affinity for BCL-XL and no significant binding to MCL-1, BFL-1 (BCL2A1/A1). The selectivity of S55746 for BCL-2 versus BCL-XL ranges from ~70 to 400 folds.

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	6.817
HBD数	1
回転可能な結合	7

名前と識別子

パブケム・シド	528767012
カノニカル・スマイル	C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6CC5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1
IUPAC Name	N-(4-hydroxyphenyl)-3-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
InChIKey	VYXJULKGMXJVGI-XIFFEERXSA-N
INCHI	1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1
異性体SMILES	C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6C[C@H]5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1
PubChem CID	71654876
分子量	710.82

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 Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic anilides
Alternative Parents	Tetrahydroisoquinolines Benzodioxoles Pyrrole carboxamides 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Morpholines Substituted pyrroles Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkyl ethers Azacyclic compounds Oxacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aromatic anilide - Tetrahydroisoquinoline - Benzodioxole - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxamide - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Morpholine - Oxazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Amine - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
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

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Reconstitution Calculator

レビュー

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

DMSO（mg / mL）最大溶解度	100
DMSO（mM）最大溶解度	140.682591936074
水（mg / mL）最大溶解度	＜1
分子量	710.800 g/mol
XLogP3	5.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	710.31 Da
Monoisotopic Mass	710.31 Da
Topological Polar Surface Area	96.700 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1250.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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