Batoprotafib

Batoprotafib
Identifiers
	IUPAC name (3S,4S)-8-[6-amino-5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;
CAS Number	1801765-04-7;
PubChem CID	118238370;
IUPHAR/BPS	12068;
DrugBank	DB19137;
ChemSpider	92169534;
UNII	FPJWORQEGI;
ChEMBL	ChEMBL4650521;
PDB ligand	VKS (PDBe, RCSB PDB);
Chemical and physical data
Formula	C18H24ClN7OS
Molar mass	421.95 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[C@H]1[C@H](C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)N;
	InChI InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1; Key:UCJZOKGUEJUNIO-IINYFYTJSA-N;

Batoprotafib (TNO155) is an experimental drug which acts as a selective inhibitor of the protein tyrosine phosphatase enzyme SHP2, which regulates cell growth and differentiation through the MAPK signaling pathway. It is in early stage clinical trials against lung cancer, squamous cell carcinoma and peripheral nerve sheath tumors.^[1]^[2]^[3]^[4]^[5]^[6]

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Identifiers

IUPAC name (3S,4S)-8-[6-amino-5-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CAS Number	1801765-04-7
PubChem CID	118238370
IUPHAR/BPS	12068
DrugBank	DB19137
ChemSpider	92169534
UNII	FPJWORQEGI
ChEMBL	ChEMBL4650521
PDB ligand	VKS (PDBe, RCSB PDB)
Chemical and physical data
Formula	C₁₈H₂₄ClN₇OS
Molar mass	421.95 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[C@H]1[C@H](C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)N
InChI InChI=1S/C18H24ClN7OS/c1-10-14(20)18(9-27-10)3-6-26(7-4-18)12-8-24-17(16(22)25-12)28-11-2-5-23-15(21)13(11)19/h2,5,8,10,14H,3-4,6-7,9,20H2,1H3,(H2,21,23)(H2,22,25)/t10-,14+/m0/s1 Key:UCJZOKGUEJUNIO-IINYFYTJSA-N