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GDC-0134

CAT: 0931-T202043-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202043-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1637394-01-4
Target
JNK
Related Pathways
MAPK
Bioactivity
GDC-0134, a dual leucine zipper kinase (DLK) inhibitor, exhibits brain penetration properties. It inhibits DLK to prevent neuronal degeneration and block JNK activation, potentially treating amyotrophic lateral sclerosis (ALS) . It has been assessed in a phase 1 study aimed at treating ALS patients.
Smiles
FC1(F)CN(C=2N=C(C=C(N2)C=3C=C(OC(F)F)C(N)=NC3)N4[C@]5(C[C@@](C4)(OC5)[H])[H])CC1
Molecular Formula
C19H20F4N6O2
Molecular Weight
440.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gdc-0134
CAS Number1637394-01-4
PubChem CID86298636
IUPAC Name3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
Molecular FormulaC19H20F4N6O2
Molecular Weight440.4
XLogP3
Topological Polar Surface Area89.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity649
SMILES
C1CN(CC1(F)F)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F
InChI
InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1
InChIKey
SKMKJBYBPYBDMN-RYUDHWBXSA-N
Chemical Structure
2D Structure
2D structure of Gdc-0134
CAS: 1637394-01-4
CID: 86298636
Formula: C19H20F4N6O2
MW: 440.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass440.15838655
Monoisotopic Mass440.15838655
Topological Polar Surface Area89.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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