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BRD5631

CAT: 0013-GTR19206382-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206382-01Size:50 mg
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Description
BRD5631 is a small molecule autophagy enhancer that operates independently of mTOR signaling. It modulates key autophagy-linked cellular processes such as protein clearance, pathogen control, and inflammatory responses, making it a useful research tool for studying autophagy in both cellular and disease models.
CAS Number
2446154-91-0
Field of Research
Cell Biology
Smiles
O=C1C=2C (=CC=C (NC (=O) C3=CC=C (C=C3) C4=CC=CC=C4) C2) OC[C@H] (C) NC[C@H] (C) [C@H] (OC) CN1C
Molecular Formula
C30H35N3O4
Molecular Weight
501.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide
CAS Number2446154-91-0
PubChem CID54636910
IUPAC NameN-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide
Molecular FormulaC30H35N3O4
Molecular Weight501.6
XLogP4.3
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity734
SMILES
C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C
InChI
InChI=1S/C30H35N3O4/c1-20-17-31-21(2)19-37-27-15-14-25(16-26(27)30(35)33(3)18-28(20)36-4)32-29(34)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-16,20-21,28,31H,17-19H2,1-4H3,(H,32,34)/t20-,21-,28+/m0/s1
InChIKey
XGMSCYLPQZMHLL-YHGPEZAFSA-N
Chemical Structure
2D Structure
2D structure of N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide
CAS: 2446154-91-0
CID: 54636910
Formula: C30H35N3O4
MW: 501.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.6
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass501.26275661
Monoisotopic Mass501.26275661
Topological Polar Surface Area79.9 Ų
Heavy Atom Count37
Formal Charge0
Complexity734
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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