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Adhesamine diTFA

CAT: 0013-GTR19238820-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238820-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Adhesamine diTFA is a dumbbell-shaped small molecule activator of the MAPK/FAK signaling pathway. It is utilized in cell biology and neuroscience research to promote cellular adhesion, proliferation, and enhance the survival and differentiation of primary hippocampal neurons in vitro.
CAS Number
1201698-09-0
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
O=CC1=C (N2CC[N+]3 (CC[N+]4 (CC3) CCN (CC4) C5=C (C=O) C (Cl) =NC (SC) =N5) CC2) N=C (SC) N=C1Cl.O=C (C (F) (F) F) [O-].O=C (C (F) (F) F) [O-]
Molecular Formula
C28H32Cl2F6N8O6S2
Molecular Weight
825.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adhesamine diTFA
CAS Number1201698-09-0
PubChem CID72203713
IUPAC Name4-chloro-6-[12-(6-chloro-5-formyl-2-methylsulfanylpyrimidin-4-yl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-2-methylsulfanylpyrimidine-5-carbaldehyde;bis(2,2,2-trifluoroacetate)
Molecular FormulaC28H32Cl2F6N8O6S2
Molecular Weight825.6
Topological Polar Surface Area223
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count6
Heavy Atom Count52
Formal Charge0
Complexity833
SMILES
CSC1=NC(=C(C(=N1)Cl)C=O)N2CC[N+]3(CC2)CC[N+]4(CCN(CC4)C5=C(C(=NC(=N5)SC)Cl)C=O)CC3.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]
InChI
InChI=1S/C24H32Cl2N8O2S2.2C2HF3O2/c1-37-23-27-19(25)17(15-35)21(29-23)31-3-7-33(8-4-31)11-13-34(14-12-33)9-5-32(6-10-34)22-18(16-36)20(26)28-24(30-22)38-2;2*3-2(4,5)1(6)7/h15-16H,3-14H2,1-2H3;2*(H,6,7)/q+2;;/p-2
InChIKey
FEBKOTRIRJVQOA-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Adhesamine diTFA
CAS: 1201698-09-0
CID: 72203713
Formula: C28H32Cl2F6N8O6S2
MW: 825.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight825.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count6
Exact Mass824.1167475
Monoisotopic Mass824.1167475
Topological Polar Surface Area223 Ų
Heavy Atom Count52
Formal Charge0
Complexity833
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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