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Hexa-D-arginine

CAT: 0957-E0029-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E0029-5mgSize:5 mg
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CAS Number
673202-67-0
Synonyms
Furin Inhibitor II
Target
Others
Applications
Others
Smiles
NC (CCCNC (N) =N) C (=O) NC (CCCNC (N) =N) C (=O) NC (CCCNC (N) =N) C (=O) NC (CCCNC (N) =N) C (=O) NC (CCCNC (N) =N) C (=O) NC (CCCNC (N) =N) C (N) =O
Molecular Formula
C36H75N25O6
Additionnal Information
Hexa-D-arginine is a potent and specific furin inhibitor with Ki values of 106 nM, 580 nM, and 13.2 μM for furin, PACE4, and PC1, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

N~5~-(Diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithinamide

Hexa-D-arginine is a peptide.

CAS Number673202-67-0
PubChem CID57358476
IUPAC Name(2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular FormulaC36H75N25O6
Molecular Weight954.1
XLogP-9.8
Topological Polar Surface Area601
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count13
Rotatable Bond Count35
Heavy Atom Count67
Formal Charge0
Complexity1750
SMILES
C(C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N)N)CN=C(N)N
InChI
InChI=1S/C36H75N25O6/c37-19(7-1-13-51-31(39)40)26(63)58-21(9-3-15-53-33(43)44)28(65)60-23(11-5-17-55-35(47)48)30(67)61-24(12-6-18-56-36(49)50)29(66)59-22(10-4-16-54-34(45)46)27(64)57-20(25(38)62)8-2-14-52-32(41)42/h19-24H,1-18,37H2,(H2,38,62)(H,57,64)(H,58,63)(H,59,66)(H,60,65)(H,61,67)(H4,39,40,51)(H4,41,42,52)(H4,43,44,53)(H4,45,46,54)(H4,47,48,55)(H4,49,50,56)/t19-,20-,21-,22-,23-,24-/m1/s1
InChIKey
BMLTZEAFQLJTIZ-TZNXUKFXSA-N
Chemical Structure
2D Structure
2D structure of N~5~-(Diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithyl-N~5~-(diaminomethylidene)-D-ornithinamide
CAS: 673202-67-0
CID: 57358476
Formula: C36H75N25O6
MW: 954.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight954.1
XLogP3-9.8
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count13
Rotatable Bond Count35
Exact Mass953.63321521
Monoisotopic Mass953.63321521
Topological Polar Surface Area601 Ų
Heavy Atom Count67
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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