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FAP-IN-2

CAT: 0804-HY-47979-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-47979-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FAP-IN-2 is a derivative of 99mTc-labeled isonitrile-containing fibroblast activation protein (FAPI) inhibitor. FAP-IN-2 can be used for tumor imaging. FAP-IN-2 has good stability, high uptake and good retention in the tumor site of mouse model[1].
CAS Number
2471983-20-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
FAP
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/fap-in-2.html
Purity
99.93
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(N1[C@@H](CC(F)(C1)F)C#N)CNC(C2=CC=NC3=C2C=C(OCCCN4CCNCC4)C=C3)=O
Molecular Formula
C24H28F2N6O3
Molecular Weight
486.51
Precautions
H302, H315, H319, H335
References & Citations
[1]Zhang JB, et al. Preparation method of technetium-99m-labeled isocyano-containing fibroblast activation protein inhibitor (FAPI) derivative for use as tumor imaging agent in nuclear medicine. China, CN112409414 A. 2021-02-26.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fap-IN-2
CAS Number2471983-20-5
PubChem CID155487468
IUPAC NameN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3-piperazin-1-ylpropoxy)quinoline-4-carboxamide
Molecular FormulaC24H28F2N6O3
Molecular Weight486.5
XLogP1.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity799
SMILES
C1CN(CCN1)CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(C[C@H]4C#N)(F)F
InChI
InChI=1S/C24H28F2N6O3/c25-24(26)13-17(14-27)32(16-24)22(33)15-30-23(34)19-4-5-29-21-3-2-18(12-20(19)21)35-11-1-8-31-9-6-28-7-10-31/h2-5,12,17,28H,1,6-11,13,15-16H2,(H,30,34)/t17-/m0/s1
InChIKey
ZXFWGSFSRPLSRU-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Fap-IN-2
CAS: 2471983-20-5
CID: 155487468
Formula: C24H28F2N6O3
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass486.21909510
Monoisotopic Mass486.21909510
Topological Polar Surface Area111 Ų
Heavy Atom Count35
Formal Charge0
Complexity799
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

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