Products for Research Use Only
RegisterLogin

STAT3 HiBiT degrader 1

CAT: 0013-GTR19240538-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19240538-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
STAT3HiBiT degrader 1 is a highly potent small molecule that effectively degrades STAT3HiBiT fusion proteins, demonstrating a DC50 below 50 nM in A549 lung carcinoma cells. This tool compound is valuable for in vitro studies investigating STAT3-dependent signaling pathways in oncology and immunology research.
CAS Number
2767166-30-1
Field of Research
Cancer Biology, Infectious Disease & Virology, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C1N (C=2C (N1C) =CC (C#CCCC3CCN (C ([C@H] (CC4=CC (F) =C (F) C=C4) NC ([C@@H] (NC (=O) [C@H]5N6[C@] (CC5) (CCN (C (OC) =O) C[C@H] (NC (=O) C7=CC=8C (S7) =CC=C (C (P (=O) (O) O) (F) F) C8) C6=O) [H]) CCC (N) =O) =O) =O) CC3) =CC2) C9C (=O) NC (=O) CC9
Molecular Formula
C58H63F4N10O14PS
Molecular Weight
1263.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-[[(2S)-3-(3,4-difluorophenyl)-1-[4-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]but-3-ynyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-3-methoxycarbonyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid
CAS Number2767166-30-1
PubChem CID176419287
IUPAC Name[[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-[[(2S)-3-(3,4-difluorophenyl)-1-[4-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]but-3-ynyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-3-methoxycarbonyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid
Molecular FormulaC58H63F4N10O14PS
Molecular Weight1263.2
XLogP3
Topological Polar Surface Area356
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count19
Rotatable Bond Count19
Heavy Atom Count88
Formal Charge0
Complexity2820
SMILES
CN1C2=C(C=CC(=C2)C#CCCC3CCN(CC3)C(=O)[C@H](CC4=CC(=C(C=C4)F)F)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CC[C@H]6N5C(=O)[C@H](CN(CC6)C(=O)OC)NC(=O)C7=CC8=C(S7)C=CC(=C8)C(F)(F)P(=O)(O)O)N(C1=O)C9CCC(=O)NC9=O
InChI
InChI=1S/C58H63F4N10O14PS/c1-68-45-27-32(8-13-42(45)72(56(68)81)44-15-18-49(74)67-52(44)77)6-4-3-5-31-19-22-69(23-20-31)54(79)40(26-33-7-11-37(59)38(60)25-33)65-50(75)39(12-17-48(63)73)64-51(76)43-14-10-36-21-24-70(57(82)86-2)30-41(55(80)71(36)43)66-53(78)47-29-34-28-35(9-16-46(34)88-47)58(61,62)87(83,84)85/h7-9,11,13,16,25,27-29,31,36,39-41,43-44H,3,5,10,12,14-15,17-24,26,30H2,1-2H3,(H2,63,73)(H,64,76)(H,65,75)(H,66,78)(H,67,74,77)(H2,83,84,85)/t36-,39+,40+,41+,43+,44?/m1/s1
InChIKey
OBYZZGGANLEUHK-DFNWYBHTSA-N
Chemical Structure
2D Structure
2D structure of [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-[[(2S)-3-(3,4-difluorophenyl)-1-[4-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]but-3-ynyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-3-methoxycarbonyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid
CAS: 2767166-30-1
CID: 176419287
Formula: C58H63F4N10O14PS
MW: 1263.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1263.2
XLogP33
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count19
Rotatable Bond Count19
Exact Mass1262.39196754
Monoisotopic Mass1262.39196754
Topological Polar Surface Area356 Ų
Heavy Atom Count88
Formal Charge0
Complexity2820
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19221148-01STAT3 degrader-1
GTR19230774-01STAT3 degrader-2
GTR19262351-01PROTAC STAT3 degrader-3
GTR19220625-01PROTAC STAT3 degrader-2
GTR19275120-01PROTAC STAT6 degrader-1
GTR19065955-01HiBiT tag
GTR19144680-01HiBiT tag acetate
GTR19280528-01STAT6 degrader-3
GTR19241419-01MTH1 degrader-1
GTR19238936-01And1 degrader 1

Alternative Products

CatalogName
HY-169370STAT3 HiBiT degrader 1
T74545-01STAT3 degrader-1
MBS5820644STAT3 degrader-2
HY-163502-01PROTAC STAT3 degrader-3
T75099-01PROTAC STAT3 degrader-2
P103685PCDNA5-CMV-STAT3 (human) -4-Hibit-Hyg
HY-P10632HiBiT tag
24013-500De-Hibit 200
TP3675-01HiBiT tag acetate
CRB1001507-01HiBiT tag - (Peptide)

Popular Products