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PROTAC SOS1 degrader-2

CAT: 0931-T74356-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74356-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2913176-81-3
Target
Others, Ras, PROTACs
Related Pathways
Others, GPCR/G Protein, MAPK, PROTAC
Bioactivity
PROTAC SOS1 degrader-2, a potent degrader of PROTAC SOS1, effectively reduces the expression of pERK and RAS-GTP in a dose-dependent manner. It significantly inhibits tumor growth in vivo [1].
Smiles
C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCN1CCN(CC1)c1cc(Cl)cc2n(Cc3cc(C)c(F)c(C)c3)c(nc12)N1CC2(CNC2)C1)C(C)(C)C)c1ccc(cc1)-c1scnc1C
Molecular Formula
C57H76ClFN10O4S
Molecular Weight
1051.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PROTAC SOS1 degrader-2
CAS Number2913176-81-3
PubChem CID163322271
IUPAC Name(2S,4S)-1-[(2S)-2-[9-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular FormulaC57H76ClFN10O4S
Molecular Weight1051.8
XLogP9.2
Topological Polar Surface Area179
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Heavy Atom Count74
Formal Charge0
Complexity1850
SMILES
CC1=CC(=CC(=C1F)C)CN2C3=C(C(=CC(=C3)Cl)N4CCN(CC4)CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](C[C@H]5C(=O)N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)N=C2N8CC9(C8)CNC9
InChI
InChI=1S/C57H76ClFN10O4S/c1-36-24-40(25-37(2)49(36)59)29-69-46-27-43(58)26-45(50(46)64-55(69)67-33-57(34-67)31-60-32-57)66-22-20-65(21-23-66)19-13-11-9-8-10-12-14-48(71)63-52(56(5,6)7)54(73)68-30-44(70)28-47(68)53(72)62-38(3)41-15-17-42(18-16-41)51-39(4)61-35-74-51/h15-18,24-27,35,38,44,47,52,60,70H,8-14,19-23,28-34H2,1-7H3,(H,62,72)(H,63,71)/t38-,44-,47-,52+/m0/s1
InChIKey
AZBRWXRYNYEDKG-UZBSLLNPSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SOS1 degrader-2
CAS: 2913176-81-3
CID: 163322271
Formula: C57H76ClFN10O4S
MW: 1051.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1051.8
XLogP39.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Exact Mass1050.5444280
Monoisotopic Mass1050.5444280
Topological Polar Surface Area179 Ų
Heavy Atom Count74
Formal Charge0
Complexity1850
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19221307-01PROTAC SOS1 degrader-2
HY-161634PROTAC SOS1 degrader-8
GTR19234059-01PROTAC SOS1 degrader-9
HY-162281PROTAC SOS1 degrader-6
HY-145737-01PROTAC SOS1 degrader-1
MBS5816943PROTAC SOS1 degrader-3
HY-153674PROTAC SOS1 degrader-4
HY-161173PROTAC SOS1 degrader-5
GTR19233973-01PROTAC SOS1 degrader-7
HY-161654PROTAC SOS1 degrader-10

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