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BRD5631

CAT: 0804-HY-125197Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-125197Size:1 Each
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Description
BRD5631 is an autophagy enhancer, enhances autophagy through an mTOR-independent pathway. BRD5631 affects several cellular disease phenotypes previously linked to autophagy, including protein aggregation, cell survival, bacterial replication, and inflammatory cytokine production[1].
CAS Number
2446154-91-0
UNSPSC
12352005
Target
Autophagy
Type
Reference compound
Related Pathways
Autophagy
Applications
Cancer-programmed cell death
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/brd5631.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=CC=C2C(C(N(C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO2)C)=O)=C1)C3=CC=C(C4=CC=CC=C4)C=C3
Molecular Formula
C30H35N3O4
Molecular Weight
501.62
References & Citations
[1]Kuo SY, et al. Small-molecule enhancers of autophagy modulate cellular disease phenotypes suggested by human genetics. Proc Natl Acad Sci U S A. 2015 Aug 4;112 (31) :E4281-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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