Products for Research Use Only
RegisterLogin

BRD5631

CAT: 0931-T10607-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T10607-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2446154-91-0
Target
Autophagy
Related Pathways
Autophagy
Bioactivity
BRD5631 is an autophagy enhancer that operates through an mTOR-independent pathway. It influences several cellular disease phenotypes associated with autophagy, such as protein aggregation, cell survival, bacterial replication, and inflammatory cytokine production. BRD5631 can serve as a valuable tool for studying the role of autophagy in cellular homeostasis and disease. [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T30582-01BRD56491
T10608-01BRD5648
T9329-01BRD0639
T61578-01BRD3731
T39457-01(R)-BRD3731

Alternative Products

CatalogName
HY-125197BRD5631

Popular Products