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TNO155

CAT: 0013-GTR19157884-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157884-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TNO155 is a protein tyrosine phosphatase (PTP) non-receptor type 11 (SHP2; src homology region 2 domain phosphatase; PTPN11) inhibitor (IC50 : 0.011 μM), with potential antineoplastic activity.
CAS Number
1801765-04-7
Purity
>98% (HPLC)
Solubility
DMSO:185mg/ml (438.44 Mm; Need ultrasonic)
Smiles
C[C@@H]1OCC2 (CCN (CC2) C2=NC (N) =C (SC3=C (Cl) C (N) =NC=C3) N=C2) [C@@H]1N
Molecular Formula
C18H24ClN7OS
Molecular Weight
421.95
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Batoprotafib

Batoprotafib is under investigation in clinical trial NCT04330664 (Adagrasib in Combination With TNO155 in Patients With Cancer (KRYSTAL 2)).

CAS Number1801765-04-7
PubChem CID118238370
IUPAC Name(3S,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
Molecular FormulaC18H24ClN7OS
Molecular Weight421.9
XLogP1.3
Topological Polar Surface Area155
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity538
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
InChIKey
UCJZOKGUEJUNIO-IINYFYTJSA-N
Chemical Structure
2D Structure
2D structure of Batoprotafib
CAS: 1801765-04-7
CID: 118238370
Formula: C18H24ClN7OS
MW: 421.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.9
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass421.1451573
Monoisotopic Mass421.1451573
Topological Polar Surface Area155 Ų
Heavy Atom Count28
Formal Charge0
Complexity538
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

Alternative Products

CatalogName
207074TNO155
S8987-25mgBatoprotafib (TNO155)

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