BDA-366 - 10mM in DMSO , CAS No.1909226-00-1

CAS: 1909226-00-1 Cat. No.: B422336 Fórmula: C24H29N3O4 Peso molecular: 423.5
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
1-[[3-(Diethylamino)-2(S)-hydroxypropyl]amino]-4-[(2(S)-oxiranylmethyl)amino]-9,10-anthracenedione
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemanha (EU)
USA*
Price
Qty
1ml
B422336-1ml
—
2 Em stock

143,09€

209,91€
Gravar 66,82 € (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.

Visão geral

Information

BDA-366 is a small-moleculeBcl2-BH4domain antagonist and binds BH4 with high affinity and selectivity. It directly binds to Bcl2 with high binding affinity (Ki =3.3 ± 0.73 nM).

Targets

Bcl2-BH4 (Cell-free assay) 3.3 nM(Ki)

In vitro

BDA-366 induces robust apoptosis in MM(Multiple myeloma) cell lines and primary MM cells by inducing BCL2 conformational change. BDA-366 induces a conformational change in the BCL2 molecule that converts it to a death protein, and inhibits lung cancer growth in vitro and in vivo. BDA-366 did not bind to other Bcl2 family members, including Bcl-XL, Mcl-1, or Bfl-1/A1, indicating the specificity of its Bcl2 binding. BDA-366 induces apoptotic cell death in a Bax-dependent manner and induces calcium (Ca2+) release via inhibition of Bcl2/IP3R interaction.

In vivo

Delivery of BDA-366 substantially suppressed the growth of human MM xenografts in NOD-scid/IL2Rγ mice, without significant cytotoxic effects on normal hematopoietic cells or body weight. Also, BDA-366 suppresses lung cancer growth via induction of apoptosis in animal models. The BH4 antagonist BDA-366 exhibits potent efficacy against human lung cancer in vivo without platelet reduction.

Cell Research(from reference)

Cell lines:human MM RPMI8226 and U266 cell lines 

Concentrations:0, 0.1, 0.25, 0.5 μM 

Incubation Time:48 h 

Specifications

Sinónimos
1-[[3-(Diethylamino)-2(S)-hydroxypropyl]amino]-4-[(2(S)-oxiranylmethyl)amino]-9,10-anthracenedione
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e fisiológicos
BDA-366 is a small-molecule Bcl2-BH4 domain antagonist and binds BH4 with high affinity and selectivity. It directly binds to Bcl2 with high binding affinity (Ki =3.3 ± 0.73 nM).
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Propriedades do produto
ALogP
2.467
hba_count
3
Contagem HBD
3
Ligação rotativa
10
Nomes e identificadores
Pubchem Sid
Sorrisos canónicos
CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC3CO3)C(=O)C4=CC=CC=C4C2=O)O
IUPAC Name
1-[[(2S)-3-(diethylamino)-2-hydroxypropyl]amino]-4-[[(2S)-oxiran-2-yl]methylamino]anthracene-9,10-dione
InChIKey
JYOOEVFJWLBLKF-HOTGVXAUSA-N
INCHI
1S/C24H29N3O4/c1-3-27(4-2)13-15(28)11-25-19-9-10-20(26-12-16-14-31-16)22-21(19)23(29)17-7-5-6-8-18(17)24(22)30/h5-10,15-16,25-26,28H,3-4,11-14H2,1-2H3/t15-,16-/m0/s1
SMILES isoméricas
CCN(CC)C[C@H](CNC1=C2C(=C(C=C1)NC[C@H]3CO3)C(=O)C4=CC=CC=C4C2=O)O
Peso molecular
423.5
Reaxy-Rn
5913669
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5913669&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

KingdomOrganic compounds
SuperclassBenzenoids
ClasseAnthracenes
SubclassAnthraquinones
Intermediate Tree Nodes Not available
Direct ParentAnthraquinones
Alternative Parents Aryl ketones  Secondary alkylarylamines  Vinylogous amides  Trialkylamines  Secondary alcohols  1,2-aminoalcohols  Oxacyclic compounds  Epoxides  Dialkyl ethers  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 9,10-anthraquinone - Anthraquinone - Aryl ketone - Secondary aliphatic/aromatic amine - Vinylogous amide - 1,2-aminoalcohol - Ketone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Oxirane - Ether - Oxacycle - Secondary amine - Organoheterocyclic compound - Organic oxide - Amine - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
External Descriptors tertiary amino compound - secondary alcohol - epoxide - secondary amino compound - anthraquinone
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2 Tclin Apoptosis regulator Bcl-2 (3787 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
DMSO (mg/mL) Solubilidade máxima84
DMSO (mM) Solubilidade máxima198.3471074
Água (mg/mL) Solubilidade máxima<1
Peso molecular423.500 g/mol
XLogP33.800
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass423.216 Da
Monoisotopic Mass423.216 Da
Topological Polar Surface Area94.200 Ų
Heavy Atom Count31
Formal Charge0
Complexity640.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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