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SP 4206

CAT: 1410-M14795-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14795-02Size:5 mg
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Description
SP 4206 is a high-affinity (Kd=70 nM) small molecule that blocks blocks the binding of the IL-2α receptor (IL-2Rα) to IL-2.
CAS Number
515846-21-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
662.57
Molecular Formula
C30H37Cl2N7O6
Notes
Research use only, not for human use.
Receptor
Interleukin Receptor

Chemical Information

N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide

N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide is a leucine derivative obtained by fpormal condensation of the secondary amino group of 5-({2,3-dichloro-4-[1-methyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)-2-furoic acid and the carboxy group of N-amidino-L-leucylglycine. It is a dichlorobenzene, a glycine derivative, a member of guanidines, a furoic acid, a pyrazolylpiperidine and a D-leucine derivative.

CAS Number515846-21-6
PubChem CID5288251
IUPAC Name5-[[2,3-dichloro-4-[5-[1-[2-[[(2R)-2-(diaminomethylideneamino)-4-methylpentanoyl]amino]acetyl]piperidin-4-yl]-1-methylpyrazol-3-yl]phenoxy]methyl]furan-2-carboxylic acid
Molecular FormulaC30H37Cl2N7O6
Molecular Weight662.6
XLogP3.4
Topological Polar Surface Area191
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity1060
SMILES
CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)C2=CC(=NN2C)C3=C(C(=C(C=C3)OCC4=CC=C(O4)C(=O)O)Cl)Cl)N=C(N)N
InChI
InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36)/t21-/m1/s1
InChIKey
VNZHOIDQBPFEJU-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide
CAS: 515846-21-6
CID: 5288251
Formula: C30H37Cl2N7O6
MW: 662.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.6
XLogP33.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass661.2182373
Monoisotopic Mass661.2182373
Topological Polar Surface Area191 Ų
Heavy Atom Count45
Formal Charge0
Complexity1060
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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