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ABBV-712

CAT: 0013-GTR19217489-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217489-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ABBV-712 is a potent and selective TYK2 inhibitor with an IC50 of 0.195 μM. It is a valuable research tool for studying autoimmune disease pathways, utilized in both in vitro cellular assays and in vivo inflammatory disease models to investigate JAK-STAT signaling.
CAS Number
2368945-27-9
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
N (C (C) =O) C=1C=C2C (=CN (C2=CN1) C3COC3) C=4N=C (C=C (COC) C4) [C@]5 (OC) CCOC5
Molecular Formula
C24H28N4O5
Molecular Weight
452.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CAS Number2368945-27-9
PubChem CID139464910
IUPAC NameN-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
Molecular FormulaC24H28N4O5
Molecular Weight452.5
XLogP-0.2
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity694
SMILES
CC(=O)NC1=NC=C2C(=C1)C(=CN2C3COC3)C4=NC(=CC(=C4)COC)[C@@]5(CCOC5)OC
InChI
InChI=1S/C24H28N4O5/c1-15(29)26-23-8-18-19(10-28(17-12-33-13-17)21(18)9-25-23)20-6-16(11-30-2)7-22(27-20)24(31-3)4-5-32-14-24/h6-10,17H,4-5,11-14H2,1-3H3,(H,25,26,29)/t24-/m0/s1
InChIKey
GTXKSTKFOCDTPI-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of N-[3-[4-(methoxymethyl)-6-[(3R)-3-methoxyoxolan-3-yl]-2-pyridinyl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CAS: 2368945-27-9
CID: 139464910
Formula: C24H28N4O5
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass452.20597001
Monoisotopic Mass452.20597001
Topological Polar Surface Area96.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity694
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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