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(S, R, S) -AHPC

CAT: 0013-GTR19165562-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165562-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S, R, S) -AHPC
CAS Number
1448297-52-6
Product Name Alternative
VHL, VHL ligand 1, VHL ligand1, VHL ligand-1, VH032-NH2, AHPC, (S, R, S) AHPC, (S, R, S) AHPC, (S, R, S) -AHPC, E3 ligase-recruiting Moiety, MDK7526, MDK-7526, MDK 7526, Inhibitor, LigandforE3Ligase, Ligand for E3 Ligase, Ligands for E3 Ligase, inhibit
Field of Research
Pharmacology & Drug Discovery
Purity
97.87% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.65 mM) ; DMSO:10 mM
Smiles
Cc1ncsc1-c1ccc (CNC (=O) [C@@H]2C[C@@H] (O) CN2C (=O) [C@@H] (N) C (C) (C) C) cc1
Molecular Formula
C22H30N4O3S
Molecular Weight
430.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
CAS Number1448297-52-6
PubChem CID89702519
IUPAC Name(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC22H30N4O3S
Molecular Weight430.6
XLogP2.1
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity618
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)N)O
InChI
InChI=1S/C22H30N4O3S/c1-13-18(30-12-25-13)15-7-5-14(6-8-15)10-24-20(28)17-9-16(27)11-26(17)21(29)19(23)22(2,3)4/h5-8,12,16-17,19,27H,9-11,23H2,1-4H3,(H,24,28)/t16-,17+,19-/m1/s1
InChIKey
ZLOXMSNKPDWMEF-ZIFCJYIRSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
CAS: 1448297-52-6
CID: 89702519
Formula: C22H30N4O3S
MW: 430.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.6
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass430.20386201
Monoisotopic Mass430.20386201
Topological Polar Surface Area137 Ų
Heavy Atom Count30
Formal Charge0
Complexity618
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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