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BRD7929

CAT: 0013-GTR19209775-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209775-01Size:50 mg
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Description
BRD7929 is a multistage antimalarial compound enabling single-dose curative treatment in murine malaria models. It is a valuable research tool for investigating novel chemotherapeutic strategies against Plasmodium infections in both in vivo and in vitro experimental settings.
CAS Number
1771650-41-9
Smiles
C (N (C) C) [C@@H]1[C@@H] ([C@]2 (N1CCCCN (C (NC3=CC=C (OC) C=C3) =O) C2) [H]) C4=CC=C (C#CC5=CC=CC=C5) C=C4
Molecular Formula
C33H38N4O2
Molecular Weight
522.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Brd7929

has antimalarial activity; structure in first source

CAS Number1771650-41-9
PubChem CID118065266
IUPAC Name(8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Molecular FormulaC33H38N4O2
Molecular Weight522.7
XLogP5.3
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity842
SMILES
CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)NC3=CC=C(C=C3)OC)C4=CC=C(C=C4)C#CC5=CC=CC=C5
InChI
InChI=1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1
InChIKey
VKRCTZCBMKVHCK-RTOKGZNSSA-N
Chemical Structure
2D Structure
2D structure of Brd7929
CAS: 1771650-41-9
CID: 118065266
Formula: C33H38N4O2
MW: 522.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.7
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass522.29947647
Monoisotopic Mass522.29947647
Topological Polar Surface Area48.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity842
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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