Products for Research Use Only
RegisterLogin

INT-777

CAT: 0013-GTR19205572-06Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19205572-06Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
INT-777 (S-EMCA) is a potent TGR5 receptor agonist exhibiting an EC50 of 0.82 μM. It has been shown to suppress neuroinflammation by inhibiting the NLRP3-ASC inflammasome via the TGR5/cAMP/PKA pathway in rat models of subarachnoid hemorrhage, highlighting its utility in neuroscience and inflammation research.
CAS Number
1199796-29-6
Product Name Alternative
INT 777, INT777, INT-777, S-EMCA, TGR5
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Purity
99.38% (May vary between batches)
Solubility
DMSO:30 mg/mL (66.57 mM) ; Ethanol:50 mg/mL (110.95 mM)
Smiles
[H][C@@]12CC[C@H] ([C@H] (C) C[C@H] (C) C (O) =O) [C@@]1 (C) [C@@H] (O) C[C@@]1 ([H]) [C@@]2 ([H]) [C@H] (O) [C@H] (CC) [C@]2 ([H]) C[C@H] (O) CC[C@]12C
Molecular Formula
C27H46O5
Molecular Weight
450.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Int-777
CAS Number1199796-29-6
PubChem CID45483949
IUPAC Name(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
Molecular FormulaC27H46O5
Molecular Weight450.7
XLogP4.9
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity710
SMILES
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O
InChI
InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1
InChIKey
NPBCMXATLRCCLF-IRRLEISYSA-N
Chemical Structure
2D Structure
2D structure of Int-777
CAS: 1199796-29-6
CID: 45483949
Formula: C27H46O5
MW: 450.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.7
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass450.33452456
Monoisotopic Mass450.33452456
Topological Polar Surface Area98 Ų
Heavy Atom Count32
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19203413-01DMP 777
GTR19156099-01INT
GTR19173030-01INT
GTR19274388-01CCX-777 formic
GTR19275665-01CRBN ligand-777
GTR17998269Int Antibody
GTR19161953-01INT-747
GTR17998666Int Antibody
GTR17998665Int Antibody
GTR19219719-01INT. 2

Alternative Products

CatalogName
B4672-100INT-777
A21168-10INT-777 10mg
A21168-100INT-777 100mg
A21168-25INT-777 25mg
A21168-2INT-777 2mg
A21168-50INT-777 50mg
A21168-5INT-777 5mg
A21168-1INT-777 1mg
HY-15677A-01INT-777 (R-enantiomer)
MBS130248-01INT-777, S-EMCA

Popular Products