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BDA-366

CAT: 0931-T6778-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T6778-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1909226-00-1
Target
Bcl-2 Family
Related Pathways
Apoptosis
Purity
0.9946
Bioactivity
BDA-366, a potent Bcl2 antagonist, selectively binds the Bcl2-BH4 domain with high affinity (Ki = 3.3 nM), inducing a conformational change that nullifies its antiapoptotic function, thereby transforming it into a pro-apoptotic entity. This compound effectively suppresses lung cancer cell growth[1].
Smiles
N(C[C@H]1CO1)C2=C3C(=C(NC[C@@H](CN(CC)CC)O)C=C2)C(=O)C=4C(C3=O)=CC=CC4
Molecular Formula
C24H29N3O4
Molecular Weight
423.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bda-366

BDA-366 is a member of the class of anthraquinone that is 1,4-diamino-9,10-anthraquinone in which the two amino groups are carrying 3-(diethylamino)-2-hydroxypropyl and (oxiran-2-yl)methyl substituents. It exhibits anti-cancer properties. It has a role as an antineoplastic agent and an apoptosis inducer. It is an anthraquinone, an epoxide, a secondary alcohol, a secondary amino compound and a tertiary amino compound. It is functionally related to a 9,10-anthraquinone.

CAS Number1909226-00-1
PubChem CID91826545
IUPAC Name1-[[(2S)-3-(diethylamino)-2-hydroxypropyl]amino]-4-[[(2S)-oxiran-2-yl]methylamino]anthracene-9,10-dione
Molecular FormulaC24H29N3O4
Molecular Weight423.5
XLogP3.8
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity640
SMILES
CCN(CC)C[C@H](CNC1=C2C(=C(C=C1)NC[C@H]3CO3)C(=O)C4=CC=CC=C4C2=O)O
InChI
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
InChIKey
JYOOEVFJWLBLKF-HOTGVXAUSA-N
Chemical Structure
2D Structure
2D structure of Bda-366
CAS: 1909226-00-1
CID: 91826545
Formula: C24H29N3O4
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass423.21580641
Monoisotopic Mass423.21580641
Topological Polar Surface Area94.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS3602991-01BDA-366
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HY-101083A(Rac) -BDA-366
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HY-12583-01A-366

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