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APC 366 TFA

CAT: 0013-GTR19222209-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222209-02Size:500 mg
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Description
APC 366 (TFA) is a potent, irreversible inhibitor of mast cell tryptase. It is a valuable research tool for investigating allergic disease mechanisms, supporting both in vitro enzymatic assays and in vivo models of asthma and anaphylaxis.
CAS Number
2421110-28-1
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
OC (=O) C (F) (F) F.NC (=N) NCCC[C@H] (NC (=O) c1ccc2ccccc2c1O) C (=O) N1CCC[C@H]1C (N) =O
Molecular Formula
C24H29F3N6O6
Molecular Weight
554.527
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Apc 366 tfa
CAS Number2421110-28-1
PubChem CID137700490
IUPAC Name(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(1-hydroxynaphthalene-2-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular FormulaC24H29F3N6O6
Molecular Weight554.5
Topological Polar Surface Area214
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity809
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C22H28N6O4.C2HF3O2/c23-19(30)17-8-4-12-28(17)21(32)16(7-3-11-26-22(24)25)27-20(31)15-10-9-13-5-1-2-6-14(13)18(15)29;3-2(4,5)1(6)7/h1-2,5-6,9-10,16-17,29H,3-4,7-8,11-12H2,(H2,23,30)(H,27,31)(H4,24,25,26);(H,6,7)/t16-,17-;/m0./s1
InChIKey
FFLIQFBAKJNSSS-QJHJCNPRSA-N
Chemical Structure
2D Structure
2D structure of Apc 366 tfa
CAS: 2421110-28-1
CID: 137700490
Formula: C24H29F3N6O6
MW: 554.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass554.21006715
Monoisotopic Mass554.21006715
Topological Polar Surface Area214 Ų
Heavy Atom Count39
Formal Charge0
Complexity809
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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