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CYD-2-88

CAT: 0013-GTR19237985-09Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237985-09Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CYD-2-88 is a BDA-366 analog and Bcl2 BH4 domain antagonist. In research applications, it has demonstrated efficacy in inhibiting tumor growth in H460 non-small cell lung cancer xenograft mouse models following intraperitoneal administration at 20 mg/kg.
CAS Number
1821496-27-8
Field of Research
Metabolism Research
Smiles
N (C[C@H]1CO1) C2=C3C (=C (NC[C@@H] (CN4CCCCC4) O) C=C2) C (=O) C=5C (C3=O) =CC=CC5
Molecular Formula
C25H29N3O4
Molecular Weight
435.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(((S)-2-Hydroxy-3-(piperidin-1-yl)propyl)amino)-4-(((S)-oxiran-2-ylmethyl)amino)anthracene-9,10-dione
CAS Number1821496-27-8
PubChem CID118499589
IUPAC Name1-[[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]amino]-4-[[(2S)-oxiran-2-yl]methylamino]anthracene-9,10-dione
Molecular FormulaC25H29N3O4
Molecular Weight435.5
XLogP3.9
Topological Polar Surface Area94.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity682
SMILES
C1CCN(CC1)C[C@H](CNC2=C3C(=C(C=C2)NC[C@H]4CO4)C(=O)C5=CC=CC=C5C3=O)O
InChI
InChI=1S/C25H29N3O4/c29-16(14-28-10-4-1-5-11-28)12-26-20-8-9-21(27-13-17-15-32-17)23-22(20)24(30)18-6-2-3-7-19(18)25(23)31/h2-3,6-9,16-17,26-27,29H,1,4-5,10-15H2/t16-,17-/m0/s1
InChIKey
PAVCXQYCVGRALP-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of 1-(((S)-2-Hydroxy-3-(piperidin-1-yl)propyl)amino)-4-(((S)-oxiran-2-ylmethyl)amino)anthracene-9,10-dione
CAS: 1821496-27-8
CID: 118499589
Formula: C25H29N3O4
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass435.21580641
Monoisotopic Mass435.21580641
Topological Polar Surface Area94.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity682
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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