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PROTAC SOS1 degrader-8

CAT: 0013-GTR19234178-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234178-01Size:50 mg
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Description
PROTA CSOS1 degrader-8 (Compd 1) is a SOS1-targeting PROTAC molecule. It facilitates the ubiquitination and degradation of SOS1, a key RAS activator, and is utilized in vitro and in vivo for investigating KRAS-driven cancer biology and targeted protein degradation strategies.
CAS Number
3036155-11-7
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
N ([C@H] (C) C1=C (C) C (C#N) =CC=C1) C=2C3=C (C=NC (=C3) N4CCN (C (=O) C5CCN (CC6CCC7 (CC6) CCN (C (=O) C8=CC (=C (Cl) C=C8) N9C (=O) NC (=O) CC9) CC7) CC5) CC4) C (C) =NN2
Molecular Formula
C50H60ClN11O4
Molecular Weight
914.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC SOS1 degrader-8
CAS Number3036155-11-7
PubChem CID171714344
IUPAC Name3-[(1R)-1-[[7-[4-[1-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidine-4-carbonyl]piperazin-1-yl]-4-methylpyrido[3,4-d]pyridazin-1-yl]amino]ethyl]-2-methylbenzonitrile
Molecular FormulaC50H60ClN11O4
Molecular Weight914.5
XLogP5.8
Topological Polar Surface Area171
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count66
Formal Charge0
Complexity1760
SMILES
CC1=C(C=CC=C1[C@@H](C)NC2=NN=C(C3=CN=C(C=C32)N4CCN(CC4)C(=O)C5CCN(CC5)CC6CCC7(CC6)CCN(CC7)C(=O)C8=CC(=C(C=C8)Cl)N9CCC(=O)NC9=O)C)C#N
InChI
InChI=1S/C50H60ClN11O4/c1-32-38(29-52)5-4-6-39(32)33(2)54-46-40-28-44(53-30-41(40)34(3)56-57-46)59-23-25-61(26-24-59)47(64)36-11-18-58(19-12-36)31-35-9-14-50(15-10-35)16-21-60(22-17-50)48(65)37-7-8-42(51)43(27-37)62-20-13-45(63)55-49(62)66/h4-8,27-28,30,33,35-36H,9-26,31H2,1-3H3,(H,54,57)(H,55,63,66)/t33-/m1/s1
InChIKey
KBCQCVJMVHCNQU-MGBGTMOVSA-N
Chemical Structure
2D Structure
2D structure of PROTAC SOS1 degrader-8
CAS: 3036155-11-7
CID: 171714344
Formula: C50H60ClN11O4
MW: 914.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight914.5
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass913.4518271
Monoisotopic Mass913.4518271
Topological Polar Surface Area171 Ų
Heavy Atom Count66
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-161634PROTAC SOS1 degrader-8
T74439-01PROTAC SOS1 degrader-1
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T88158-01PROTAC SOS1 degrader-9
T74356-01PROTAC SOS1 degrader-2
MBS5816943PROTAC SOS1 degrader-3
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