Synonym
CB-1158-analog; CB1158-analog; CB 1158-analog; Numidargistat-analog, INCB01158-analog; INCB01158 analog; INCB01158analog;
IUPAC/Chemical Name
2-amino-6-borono-2-(1-(2,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid
InChi Key
ISYBHIALKUAHGV-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H27BCl2N2O4/c20-15-4-3-13(16(21)11-15)12-23-9-5-14(6-10-23)18(22,17(24)25)7-1-2-8-19(26)27/h3-4,11,14,26-27H,1-2,5-10,12,22H2,(H,24,25)
SMILES Code
ClC1=CC(Cl)=CC=C1CN2CCC(C(N)(CCCCB(O)O)C(O)=O)CC2
Appearance
White to off-white solid powder
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 water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in water
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
Note: Currently there are two versions of CB-1158, which have different chemical structure and CAS#.
1. The first version is CAS#1345810-21-0
Smile code: ClC1=CC(Cl)=CC=C1CN2CCC(C(N)(CCCCB(O)O)C(O)=O)CC2
We listed this structure as CB1158. The structure can be found in below resources:
(1). Current Opinion in Pharmaology 2017, 35. 30-39
(2). Pham et al . Drug Discov Today. 2018. Apr;23(4):871-878.
(3). The CB1158 structure is further confirmed by Scifinder database, in which CB1158 has CAS#1345810-21-0
2. The second version is CAS#2095732-06-0
Smile code: O=C([C@]1(N)CN(C([C@H](C)N)=O)C[C@@H]1CCCB(O)O)O
This structure can be found in below resource:
https://chem.nlm.nih.gov/chemidplus/name/cb-1158
We keep post if we can confirm CB-1158 structure from authoritative resources.
|
Solvent |
mg/mL |
mM |
| Solubility |
| Soluble in water |
0.0 |
100.00 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
417.13
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: Steggerda SM, Bennett MK, Chen J, Emberley E, Huang T, Janes JR, Li W, MacKinnon AL, Makkouk A, Marguier G, Murray PJ, Neou S, Pan A, Parlati F, Rodriguez MLM, Van de Velde LA, Wang T, Works M, Zhang J, Zhang W, Gross MI. Inhibition of arginase by CB-1158 blocks myeloid cell-mediated immune suppression in the tumor microenvironment. J Immunother Cancer. 2017 Dec 19;5(1):101. doi: 10.1186/s40425-017-0308-4. PubMed PMID: 29254508; PubMed Central PMCID: PMC5735564.
