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PROTAC SOS1 degrader-5

CAT: 0013-GTR19234719-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234719-01Size:50 mg
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Description
PROTAC SOS1 degrader-5 (compound 4) potently degrades SOS1 with a DC50 of 13 nM and inhibits NCI-H358 cell proliferation with an IC50 of 5 nM. This molecule is a valuable chemical probe for investigating SOS1-dependent RAS signaling in cancer research, both in vitro and in vivo.
CAS Number
2836273-61-9
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
C (OC1=CC2=C (C=C1OC) N=C (C) N=C2N[C@H] (C) C3=CC (C (F) (F) F) =CC (N) =C3) C4 (CN (C (CCCCCCNC5=C6C (C (=O) N (C6=O) C7C (=O) NC (=O) CC7) =CC=C5) =O) C) CC4
Molecular Formula
C45H51F3N8O7
Molecular Weight
872.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC SOS1 degrader-5
CAS Number2836273-61-9
PubChem CID170836244
IUPAC NameN-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide
Molecular FormulaC45H51F3N8O7
Molecular Weight872.9
XLogP6.4
Topological Polar Surface Area198
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Heavy Atom Count63
Formal Charge0
Complexity1650
SMILES
CC1=NC2=CC(=C(C=C2C(=N1)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OCC4(CC4)CN(C)C(=O)CCCCCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)OC
InChI
InChI=1S/C45H51F3N8O7/c1-25(27-18-28(45(46,47)48)20-29(49)19-27)51-40-31-21-36(35(62-4)22-33(31)52-26(2)53-40)63-24-44(15-16-44)23-55(3)38(58)12-7-5-6-8-17-50-32-11-9-10-30-39(32)43(61)56(42(30)60)34-13-14-37(57)54-41(34)59/h9-11,18-22,25,34,50H,5-8,12-17,23-24,49H2,1-4H3,(H,51,52,53)(H,54,57,59)/t25-,34?/m1/s1
InChIKey
WLWKNXUSLSOAGM-HSGLFRJESA-N
Chemical Structure
2D Structure
2D structure of PROTAC SOS1 degrader-5
CAS: 2836273-61-9
CID: 170836244
Formula: C45H51F3N8O7
MW: 872.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight872.9
XLogP36.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count18
Exact Mass872.38328048
Monoisotopic Mass872.38328048
Topological Polar Surface Area198 Ų
Heavy Atom Count63
Formal Charge0
Complexity1650
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T87268-01PROTAC SOS1 degrader-5
HY-161634PROTAC SOS1 degrader-8
T74439-01PROTAC SOS1 degrader-1
HY-162281PROTAC SOS1 degrader-6
T88158-01PROTAC SOS1 degrader-9
T74356-01PROTAC SOS1 degrader-2
MBS5816943PROTAC SOS1 degrader-3
T210119-01PROTAC SOS1 degrader-10
HY-153674PROTAC SOS1 degrader-4
HY-163582PROTAC SOS1 degrader-7

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