ABT-737 - Moligand™, ≥97% , Antagonist of BCL2 apoptosis regulator;Antagonist of Bcl-2-like 1;Antagonist of Bcl-2-like 2, CAS No.852808-04-9, Antagonist of BCL2 apoptosis regulator;Antagonist of Bcl-2-like 1;Antagonist of Bcl-2-like 2

CAS: 852808-04-9 Cat. No.: A127419 Molecular Weight: 813.43

1 Citations COA

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ABT-737 - Moligand™, ≥97% CAS No(852808-04-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥97%

Synonyms

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide | NCGC00253562-01 | HY-50907 | 4-{4-[(4'-chloro[biphenyl]-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(di

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product References Solution Calculators Reviews

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Why this grade

Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

ABT-737 is a BH3 mimetic inhibitor of Bcl-xL, Bcl-2 and Bcl-w with EC50 of 78.7 nM, 30.3 nM and 197.8 nM in cell-free assays, respectively; no inhibition observed against Mcl-1, Bcl-B or Bfl-1.
A selective inhibitor of Bcl-2

Specifications

Synonyms

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

ABT-737 is a pan-Bcl-2 inhibitor that has a wide range of single-agent activity against acute lymphoblastic leukemia (ALL) cell lines and xenografts. Increased expression of the Bcl-2 family of proteins in cancers has been associated with chemotherapy res

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of BCL2 apoptosis regulator;Antagonist of Bcl-2-like 1;Antagonist of Bcl-2-like 2

Note

Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

Canonical Smiles	CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]
IUPAC Name	4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide
InChIKey	HPLNQCPCUACXLM-PGUFJCEWSA-N
INCHI	1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
Isomeric SMILES	CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]
Molecular Weight	813.43
Reaxy-Rn	20196785
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20196785&ln=

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
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Chlorinated biphenyls
Alternative Parents	N-arylpiperazines Phenylpiperazines Aminobenzenesulfonamides Aminobenzoic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Phenylmethylamines Phenylalkylamines Dialkylarylamines Thiophenol ethers Benzylamines Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Secondary alkylarylamines N-alkylpiperazines Alkylarylthioethers Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organic salts Organic zwitterions Organooxygen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Chlorinated biphenyl - Phenylpiperazine - N-arylpiperazine - Aminobenzenesulfonamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Benzoic acid or derivatives - Thiophenol ether - Aryl thioether - Phenylmethylamine - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Benzylamine - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Benzoyl - Chlorobenzene - Alkylarylthioether - Aralkylamine - N-alkylpiperazine - Secondary aliphatic/aromatic amine - Halobenzene - 1,4-diazinane - Aryl halide - Piperazine - Aryl chloride - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Secondary amine - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
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

3D Structure

Associated Targets(Human)

BAD Tchem Bcl2-associated agonist of cell death (1 Activities)

Discover Target: BAD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2 Tclin Apoptosis regulator Bcl-2 (19 Activities)

Discover Target: BCL2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2L1 Tchem Bcl-2-like protein 1 (32 Activities)

Discover Target: BCL2L1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCL2L2 Tchem Bcl-2-like protein 2 (4 Activities)

Discover Target: BCL2L2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BAD Tchem Bcl2-antagonist of cell death (BAD) (147 Activities)

Discover Target: BAD

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDM2 Tchem p53-binding protein Mdm-2 (4545 Activities)

Discover Target: MDM2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCRF-CEM (65223 Activities)

Lot Number	Certificate Type	Date	Item
L2015183	Certificate of Analysis	Apr 15, 2026	A127419
L1613030	Certificate of Analysis	Jan 26, 2026	A127419

Solubility	DMSO ≥160mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL
Refractive Index	1.7
Melt Point(°C)	148-151°C
Molecular Weight	813.400 g/mol
XLogP3	9.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	15
Exact Mass	812.258 Da
Monoisotopic Mass	812.258 Da
Topological Polar Surface Area	164.000 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1320.000
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

ABT-737 - Moligand™, ≥97% , Antagonist of BCL2 apoptosis regulator;Antagonist of Bcl-2-like 1;Antagonist of Bcl-2-like 2, CAS No.852808-04-9, Antagonist of BCL2 apoptosis regulator;Antagonist of Bcl-2-like 1;Antagonist of Bcl-2-like 2

Why this grade

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

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