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TC-PTP-IN-1

CAT: 0931-T212177-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T212177-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1187396-28-6
Target
Phosphatase
Related Pathways
Metabolism
Bioactivity
TC-PTP-IN-1 (compound 8) is a potent inhibitor of TC-PTP, with an IC50 value of 9.2 nM and Ki values of 4.3 nM and 34 nM for TC-PTP and PTP1B, respectively. TC-PTP-IN-1 increases the expression of pSre416 protein. TC-PTP-IN-1 (compound 3) also acts as a TC-PTP ligand for TP1L.
Smiles
[C@@H](CC1=CC=C(C(P(=O)(O)O)(F)F)C=C1)(NC([C@H](CC2=CC=CC=C2)NC(CO[C@@H]3[C@@H](C(C)C)CC[C@H](C)C3)=O)=O)C(N[C@@H](CCCCNC(=O)C4=CC=C(CC)C=C4)C(N)=O)=O
Molecular Formula
C46H62F2N5O9P
Molecular Weight
897.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[[4-[(2S)-3-[[(2S)-1-amino-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
CAS Number1187396-28-6
PubChem CID44463171
IUPAC Name[[4-[(2S)-3-[[(2S)-1-amino-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
Molecular FormulaC46H62F2N5O9P
Molecular Weight898.0
XLogP6.1
Topological Polar Surface Area226
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Heavy Atom Count63
Formal Charge0
Complexity1530
SMILES
CCC1=CC=C(C=C1)C(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C
InChI
InChI=1S/C46H62F2N5O9P/c1-5-31-15-19-34(20-16-31)43(56)50-24-10-9-13-37(42(49)55)52-45(58)39(27-33-17-21-35(22-18-33)46(47,48)63(59,60)61)53-44(57)38(26-32-11-7-6-8-12-32)51-41(54)28-62-40-25-30(4)14-23-36(40)29(2)3/h6-8,11-12,15-22,29-30,36-40H,5,9-10,13-14,23-28H2,1-4H3,(H2,49,55)(H,50,56)(H,51,54)(H,52,58)(H,53,57)(H2,59,60,61)/t30-,36+,37-,38-,39-,40-/m0/s1
InChIKey
DZZMIHDOJVEPRL-OCPMFVFQSA-N
Chemical Structure
2D Structure
2D structure of [[4-[(2S)-3-[[(2S)-1-amino-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
CAS: 1187396-28-6
CID: 44463171
Formula: C46H62F2N5O9P
MW: 898.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight898.0
XLogP36.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Exact Mass897.42532189
Monoisotopic Mass897.42532189
Topological Polar Surface Area226 Ų
Heavy Atom Count63
Formal Charge0
Complexity1530
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19264485-01TC-PTP-IN-1
GTR19249692-01PTP1B/TC-PTP IN-1
E38QA2189TC-PTP Antibody
CQA2189-01Anti-TC-PTP Antibody
sc-154127-PRTC-PTP (m) -PR
MBS517393-01PTPN2 (TC-PTP), Active
sc-76635TC-PTP siRNA (h)
sc-376864TC-PTP (E-11)
sc-373835TC-PTP (F-8)
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