MedKoo Cat#: 597095 | Name: KKI 5

Description:

WARNING: This product is for research use only, not for human or veterinary use.

KKI 5 is a serine protease inhibitor that inhibits kallikrein and plasmin. KKI 5 may exhibit anticancer chemotherapeutic benefit and may also be used as a treatment for angioedema. In various cancer cell lines, KKI 5 alters membrane potential and increases intracellular Ca2+, inhibiting cell proliferation.

Chemical Structure

KKI 5
KKI 5
CAS#97145-43-2

Theoretical Analysis

MedKoo Cat#: 597095

Name: KKI 5

CAS#: 97145-43-2

Chemical Formula: C35H55N11O9

Exact Mass: 773.4184

Molecular Weight: 773.89

Elemental Analysis: C, 54.32; H, 7.16; N, 19.91; O, 18.61

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Synonym
KKI 5; KKI-5; KKI5; Ac-Pro-phe-arg-ser-val-gln-NH2;
IUPAC/Chemical Name
(S)-2-((3S,6S,9S,12S)-1-((S)-1-acetylpyrrolidin-2-yl)-3-benzyl-6-(3-guanidinopropyl)-9-(hydroxymethyl)-12-isopropyl-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-amido)pentanediamide
InChi Key
OOZYLOMMGMLDHT-BIVGDOEESA-N
InChi Code
InChI=1S/C35H55N11O9/c1-19(2)28(34(55)41-22(29(37)50)13-14-27(36)49)45-32(53)25(18-47)44-30(51)23(11-7-15-40-35(38)39)42-31(52)24(17-21-9-5-4-6-10-21)43-33(54)26-12-8-16-46(26)20(3)48/h4-6,9-10,19,22-26,28,47H,7-8,11-18H2,1-3H3,(H2,36,49)(H2,37,50)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H4,38,39,40)/t22-,23-,24-,25-,26-,28-/m0/s1
SMILES Code
O=C(C)N(CCC1)[C@@H]1C(N[C@@H](Cc2ccccc2)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N)=O)=O)=O)=O)=O)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Biological target:
KKI-5 is a specific inhibitor of tissue kallikrein. KKI-5 can attenuate breast cancer cell invasion.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 773.89 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Burton J, Benetos A. The design of specific inhibitors of tissue kallikrein and their effect on the blood pressure of the rat. Adv Exp Med Biol. 1989;247B:9-13. PubMed PMID: 2610106.