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(S, R, S) -AHPC-Ac

CAT: 0931-T200263-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T200263-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2361116-63-2
Target
Ligand for E3 Ligase
Related Pathways
PROTAC
Bioactivity
(S, R, S) -AHPC-Ac serves as a ligand for E3 ubiquitinase and is utilized in the synthesis of PROTAC SMARCA2/4-degrader-22.
Smiles
C([C@H](C(C)(C)C)N)(=O)N1[C@H](C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C[C@@H](OC(C)=O)C1
Molecular Formula
C24H32N4O4S
Molecular Weight
472.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S,R,S)-AHPC-Ac
CAS Number2361116-63-2
PubChem CID138693732
IUPAC Name[(3R,5S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl] acetate
Molecular FormulaC24H32N4O4S
Molecular Weight472.6
XLogP2.6
Topological Polar Surface Area143
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity720
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)OC(=O)C
InChI
InChI=1S/C24H32N4O4S/c1-14-20(33-13-27-14)17-8-6-16(7-9-17)11-26-22(30)19-10-18(32-15(2)29)12-28(19)23(31)21(25)24(3,4)5/h6-9,13,18-19,21H,10-12,25H2,1-5H3,(H,26,30)/t18-,19+,21-/m1/s1
InChIKey
LSHNHGFBDQKVFU-SVFBPWRDSA-N
Chemical Structure
2D Structure
2D structure of (S,R,S)-AHPC-Ac
CAS: 2361116-63-2
CID: 138693732
Formula: C24H32N4O4S
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass472.21442669
Monoisotopic Mass472.21442669
Topological Polar Surface Area143 Ų
Heavy Atom Count33
Formal Charge0
Complexity720
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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