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MZ-101

CAT: 0931-T86939-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86939-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2839908-40-4
Target
Others
Related Pathways
Others
Bioactivity
MZ-101 is an inhibitor of glycogen synthase 1 (GYS1) and can be used to study diseases mediated by GYS1 [1].
Smiles
[C@@H](NC(=O)[C@H]1N(C(CC2=CN=NN2)=O)C[C@H](F)C1)(C3=CC=C(C(C)C)C=C3)C4=CC=CC=C4
Molecular Formula
C25H28FN5O2
Molecular Weight
449.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,4R)-4-fluoro-N-[(S)-phenyl[4-(propan-2-yl)phenyl]methyl]-1-[2-(1H-1,2,3-triazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CAS Number2839908-40-4
PubChem CID165139769
IUPAC Name(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(2H-triazol-4-yl)acetyl]pyrrolidine-2-carboxamide
Molecular FormulaC25H28FN5O2
Molecular Weight449.5
XLogP3.3
Topological Polar Surface Area91
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity663
SMILES
CC(C)C1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)[C@@H]3C[C@H](CN3C(=O)CC4=NNN=C4)F
InChI
InChI=1S/C25H28FN5O2/c1-16(2)17-8-10-19(11-9-17)24(18-6-4-3-5-7-18)28-25(33)22-12-20(26)15-31(22)23(32)13-21-14-27-30-29-21/h3-11,14,16,20,22,24H,12-13,15H2,1-2H3,(H,28,33)(H,27,29,30)/t20-,22+,24+/m1/s1
InChIKey
VIXMWFGMNPKXHI-SFLYRZDNSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-4-fluoro-N-[(S)-phenyl[4-(propan-2-yl)phenyl]methyl]-1-[2-(1H-1,2,3-triazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CAS: 2839908-40-4
CID: 165139769
Formula: C25H28FN5O2
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass449.22270331
Monoisotopic Mass449.22270331
Topological Polar Surface Area91 Ų
Heavy Atom Count33
Formal Charge0
Complexity663
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

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