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RIPK1-IN-21

CAT: 0931-T87335-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87335-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3016304-64-3
Target
RIP kinase
Related Pathways
Apoptosis, NF-κB
Bioactivity
RIPK1-IN-21 (Compound I-5), an inhibitor of RIPK1, manifests a potent EC 50 value of 14.8 nM. It is primarily utilized in researching neurodegenerative, autoimmune, and inflammatory diseases [1].
Smiles
O=C1N(C23CC(C#N)(C2)C3)N=C4N1[C@@H](CC4)C5=CC(F)=CC(F)=C5
Molecular Formula
C17H14F2N4O
Molecular Weight
328.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ripk1-IN-21
CAS Number3016304-64-3
PubChem CID170345494
IUPAC Name3-[(5S)-5-(3,5-difluorophenyl)-3-oxo-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-yl]bicyclo[1.1.1]pentane-1-carbonitrile
Molecular FormulaC17H14F2N4O
Molecular Weight328.32
XLogP1.4
Topological Polar Surface Area59.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity668
SMILES
C1CC2=NN(C(=O)N2[C@@H]1C3=CC(=CC(=C3)F)F)C45CC(C4)(C5)C#N
InChI
InChI=1S/C17H14F2N4O/c18-11-3-10(4-12(19)5-11)13-1-2-14-21-23(15(24)22(13)14)17-6-16(7-17,8-17)9-20/h3-5,13H,1-2,6-8H2/t13-,16?,17?/m0/s1
InChIKey
VAJYDZXWUQIBAA-IGEOTXOUSA-N
Chemical Structure
2D Structure
2D structure of Ripk1-IN-21
CAS: 3016304-64-3
CID: 170345494
Formula: C17H14F2N4O
MW: 328.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.32
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass328.11356741
Monoisotopic Mass328.11356741
Topological Polar Surface Area59.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19234687-01RIPK1-IN-21
574852-01RIPK1
M33106-01RIPK1-IN-4
HY-179235RIPK1-IN-37
ASD98244-01RIPK1-IN-7
HY-162097RIPK1-IN-20
HY-126296RIPK1-IN-3
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HY-179680RIPK1-IN-38
HY-175007RIPK1-IN-32

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