Products for Research Use Only

FAPI-2

CAT: 0013-GTR19229760-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229760-01Size:1 mg
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Description
FAPI-2 is a small molecule inhibitor targeting Fibroblast-Actrophil-Activated Protein (FAP), which is widely used in oncology research. It serves as a potent tool for studying tumor stroma in pancreatic cancer models, enabling both in vitro binding assays and in vivo imaging and therapeutic investigations.
CAS Number
2370952-98-8
Product Name Alternative
Fibroblast activation protein (FAP), FAP, FAPI 2, FAPI2, FAPI-2
Field of Research
Immunology & Inflammation
Purity
98.76% (May vary between batches)
Solubility
DMSO:80 mg/mL (95.59 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (3.94 mM)
Smiles
C (NCC (=O) N1[C@H] (C#N) CCC1) (=O) C=2C3=C (C=CC (OCCCN4CCN (C (CN5CCN (CC (O) =O) CCN (CC (O) =O) CCN (CC (O) =O) CC5) =O) CC4) =C3) N=CC2
Molecular Formula
C40H56N10O10
Molecular Weight
836.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Unii-54MD7EU3MC
CAS Number2370952-98-8
PubChem CID138454802
IUPAC Name2-[4,7-bis(carboxymethyl)-10-[2-[4-[3-[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular FormulaC40H56N10O10
Molecular Weight836.9
XLogP-7.2
Topological Polar Surface Area244
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count16
Heavy Atom Count60
Formal Charge0
Complexity1490
SMILES
C1C[C@H](N(C1)C(=O)CNC(=O)C2=C3C=C(C=CC3=NC=C2)OCCCN4CCN(CC4)C(=O)CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O)C#N
InChI
InChI=1S/C40H56N10O10/c41-24-30-3-1-9-50(30)35(51)25-43-40(59)32-6-7-42-34-5-4-31(23-33(32)34)60-22-2-8-44-18-20-49(21-19-44)36(52)26-45-10-12-46(27-37(53)54)14-16-48(29-39(57)58)17-15-47(13-11-45)28-38(55)56/h4-7,23,30H,1-3,8-22,25-29H2,(H,43,59)(H,53,54)(H,55,56)(H,57,58)/t30-/m0/s1
InChIKey
CRWOFMLXEOYIEP-PMERELPUSA-N
Chemical Structure
2D Structure
2D structure of Unii-54MD7EU3MC
CAS: 2370952-98-8
CID: 138454802
Formula: C40H56N10O10
MW: 836.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight836.9
XLogP3-7.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count16
Exact Mass836.41808802
Monoisotopic Mass836.41808802
Topological Polar Surface Area244 Ų
Heavy Atom Count60
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes