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LATS1/2-IN-1

CAT: 0804-HY-175649Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-175649Size:1 Each
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Description
LATS1/2-IN-1 is a potent and selective LATS1 and LATS2 inhibitor. LATS1/2-IN-1 exhibits potent inhibitory activity against LATS1 and LATS2 with IC50 values of 4.4 nM and 5.5 nM as determined via r33P functional assay. LATS1/2-IN-1 displays cellular IC50 values of 136 nM for LATS1 and 36.0 nM for LATS2 as determined via NanoBRET assay. LATS1/2-IN-1 reduces phosphorylation of YAP1 in mouse liver. LATS1/2-IN-1 demonstrates wound healing activity in HT-1080 scratch assay and in vivo SKH1 mouse punch biopsy model. LATS1/2-IN-1 can be used for the study of regenerative medicine indications such as wound healing[1].
CAS Number
3024011-99-9
UNSPSC
12352100
Target
YAP
Related Pathways
Stem Cell/Wnt
Field of Research
Cancer
Smiles
O=S1(CCC(N2C[C@@H](C)[C@](O)(C3=C(C)C=C(C4=C5C(NC=C5F)=NC=C4)C=C3F)[C@@H](C)C2)CC1)=O
Molecular Formula
C26H31F2N3O3S
Molecular Weight
503.60
References & Citations
[1]Morris PJ, et al. Discovery and Optimization of LATS1 and LATS2 Kinase Inhibitors for Use in Regenerative Medicine. J Med Chem. 2025 Aug 28;68 (16) :17499-17515.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
YAP1

Chemical Information

(3S,5R)-1-(1,1-dioxothian-4-yl)-4-[2-fluoro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-methylphenyl]-3,5-dimethylpiperidin-4-ol
CAS Number3024011-99-9
PubChem CID170448735
IUPAC Name(3S,5R)-1-(1,1-dioxothian-4-yl)-4-[2-fluoro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-methylphenyl]-3,5-dimethylpiperidin-4-ol
Molecular FormulaC26H31F2N3O3S
Molecular Weight503.6
XLogP3.8
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count35
Formal Charge0
Complexity844
SMILES
C[C@@H]1CN(C[C@@H](C1(C2=C(C=C(C=C2C)C3=C4C(=CNC4=NC=C3)F)F)O)C)C5CCS(=O)(=O)CC5
InChI
InChI=1S/C26H31F2N3O3S/c1-15-10-18(20-4-7-29-25-23(20)22(28)12-30-25)11-21(27)24(15)26(32)16(2)13-31(14-17(26)3)19-5-8-35(33,34)9-6-19/h4,7,10-12,16-17,19,32H,5-6,8-9,13-14H2,1-3H3,(H,29,30)/t16-,17+,26?
InChIKey
VRTKPUWWRHXPMG-QUZBXDHSSA-N
Chemical Structure
2D Structure
2D structure of (3S,5R)-1-(1,1-dioxothian-4-yl)-4-[2-fluoro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-methylphenyl]-3,5-dimethylpiperidin-4-ol
CAS: 3024011-99-9
CID: 170448735
Formula: C26H31F2N3O3S
MW: 503.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.6
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass503.20541936
Monoisotopic Mass503.20541936
Topological Polar Surface Area94.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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