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EG00229

CAT: 0607-B4657-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B4657-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nrp1 inhibitor
CAS Number
1210945-69-9
Product Name Alternative
(S,Z)-2-(((3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophen-2-yl)(hydroxy)methylene)amino)-5-guanidinopentanoic acid compound with 2,2,2-trifluoroacetic acid (1:1)
Field of Research
Tyrosine Kinase VEGFR
Purity
0.9878
Solubility
≥26.25 mg/mL in DMSO; ≥3.52 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
N=C(NCCC[C@@](/N=C(O)/C1=C(NS(C2=CC=CC3=NSN=C32)(=O)=O)C=CS1)([H])C(O)=O)N.FC(F)(F)C(O)=O
Molecular Formula
C19H20F3N7O7S3
Molecular Weight
611.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

EG 00229 trifluoroacetate
CAS Number1210945-69-9
PubChem CID45142253
IUPAC Name(2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC19H20F3N7O7S3
Molecular Weight611.6
Topological Polar Surface Area305
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity901
SMILES
C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(SC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C17H19N7O5S3.C2HF3O2/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9;3-2(4,5)1(6)7/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20);(H,6,7)/t11-;/m0./s1
InChIKey
ZYQBITUOSRZDTG-MERQFXBCSA-N
Chemical Structure
2D Structure
2D structure of EG 00229 trifluoroacetate
CAS: 1210945-69-9
CID: 45142253
Formula: C19H20F3N7O7S3
MW: 611.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight611.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass611.05384401
Monoisotopic Mass611.05384401
Topological Polar Surface Area305 Ų
Heavy Atom Count39
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E1119-25mgEG00229
A16237-50EG00229 50mg
A16237-10EG00229 10mg
A16237-5EG00229 5mg
A16237-2EG00229 2mg
A16237-100EG00229 100mg
A16237-25EG00229 25mg
HY-10799-01EG00229 (trifluoroacetate)
A16237-1EG00229 1mg
A16237-10mM-DEG00229 10mM * 1mL in DMSO

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