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Mesotrypsin IN-1

CAT: 0804-HY-175233Size: 1 EachDry Ice: NoHazardous: No
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Description
Mesotrypsin IN-1 (Compound CP13) is a selective Mesotrypsin inhibitor with an IC50 of 134.6 μM. Mesotrypsin IN-1 can be used for cancers, such as breast, colon and pancreatic cancer research[1].
CAS Number
1258690-90-2
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Cancer
Smiles
O=C(C1=CC(C2=CSC(C)=N2)=CN1)NC3=C(C=CC=N3)O
Molecular Formula
C14H12N4O2S
Molecular Weight
300.34
References & Citations
[1]Coban M, et al. Discovery of an autoinhibited conformation in mesotrypsin reveals a strategy for selective serine protease inhibition. Sci Adv. 2025 Jul 4;11 (27) :eadu9129.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(3-hydroxy-2-pyridinyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CAS Number1258690-90-2
PubChem CID30162280
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
Molecular FormulaC14H12N4O2S
Molecular Weight300.34
XLogP1.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity384
SMILES
CC1=NC(=CS1)C2=CNC(=C2)C(=O)NC3=C(C=CC=N3)O
InChI
InChI=1S/C14H12N4O2S/c1-8-17-11(7-21-8)9-5-10(16-6-9)14(20)18-13-12(19)3-2-4-15-13/h2-7,16,19H,1H3,(H,15,18,20)
InChIKey
HJWAYBPWZFHLPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-hydroxy-2-pyridinyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CAS: 1258690-90-2
CID: 30162280
Formula: C14H12N4O2S
MW: 300.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.34
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass300.06809681
Monoisotopic Mass300.06809681
Topological Polar Surface Area119 Ų
Heavy Atom Count21
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
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