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BDA-366

CAT: 1410-M12991-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M12991-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective Bcl2 BH4 domain antagonist with Ki of 3.3 nM; shows no affinity for other Bcl2 family members, including Bcl-XL, Mcl-1, or Bfl-1/A1.
CAS Number
1909226-00-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
423.5
Molecular Formula
C24H29N3O4
Notes
Research use only, not for human use.
Receptor
Bcl-2

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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