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
| ALogP | 2.467 |
|---|---|
| hba_count | 3 |
| Recuento HBD | 3 |
| Enlace rotable | 10 |
| Pubchem Sid | 488202528 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202528 |
| Sonrisas canónicas | 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 |
| Isómeros SMILES | 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= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Anthracenes |
| Subclass | Anthraquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthraquinones |
| 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 Framework | Aromatic 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 |
| Descripción | This 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 C2322469 | Certificate of Analysis | Jan 19, 2026 | B413853 |
| C2322470 | Certificate of Analysis | Jan 19, 2026 | B413853 |
| C2322476 | Certificate of Analysis | Jan 19, 2026 | B413853 |
| C2322481 | Certificate of Analysis | Jan 19, 2026 | B413853 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 84 mg/mL (198.34 mM); Ethanol: 6 mg/mL (14.16 mM); Water: Insoluble; |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 84 |
| DMSO (mM) Solubilidad máxima | 198.3471074 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 423.500 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 423.216 Da |
| Monoisotopic Mass | 423.216 Da |
| Topological Polar Surface Area | 94.200 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 640.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
