Related CAS #
384830-07-3 (HCl)
384829-65-6 9 (free base)
Synonym
BMS-363131; BMS 363131; BMS363131.
IUPAC/Chemical Name
2-Azetidinecarboxylic acid, 3-(((3R)-1-(aminoiminomethyl)-3-piperidinyl)methyl)-4-oxo-1-((4-(1-oxo-6-phenylhexyl)-1-piperazinyl)carbonyl)-, (2S,3R)-
InChi Key
FHCQLMSOTXBNCN-AKFKNWHVSA-N
InChi Code
InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21-,22-,24+/m1/s1
SMILES Code
O=C([C@H]([C@H]1C[C@@H]2CN(C(N)=N)CCC2)N(C(N3CCN(C(CCCCCC4=CC=CC=C4)=O)CC3)=O)C1=O)O
Purity
>97% (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, not in water
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
540.65
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.
| 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 |
1: Bisacchi GS, Slusarchyk WA, Bolton SA, Hartl KS, Jacobs G, Mathur A, Meng W, Ogletree ML, Pi Z, Sutton JC, Treuner U, Zahler R, Zhao G, Seiler SM. Synthesis of potent and highly selective nonguanidine azetidinone inhibitors of human tryptase. Bioorg Med Chem Lett. 2004 May 3;14(9):2227-31. PubMed PMID: 15081014.
2: Slusarchyk WA, Bolton SA, Hartl KS, Huang MH, Jacobs G, Meng W, Ogletree ML, Pi Z, Schumacher WA, Seiler SM, Sutton JC, Treuner U, Zahler R, Zhao G, Bisacchi GS. Synthesis of potent and highly selective inhibitors of human tryptase. Bioorg Med Chem Lett. 2002 Nov 4;12(21):3235-8. PubMed PMID: 12372541.
