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MedKoo Cat#: 558493 | Name: Lexacalcitol
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Description:

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

Lexacalcitol is a 20-epi-vitamin D3 analog. it is of potential interest in the treatment of psoriasis and prevents type I diabetes in preclinical investigation.

Chemical Structure

Lexacalcitol
CAS#131875-08-6

Theoretical Analysis

MedKoo Cat#: 558493

Name: Lexacalcitol

CAS#: 131875-08-6

Chemical Formula: C29H48O4

Exact Mass: 460.3553

Molecular Weight: 460.70

Elemental Analysis: C, 75.61; H, 10.50; O, 13.89

Price and Availability

Size Price Availability Quantity
1mg USD 500.00 2 Weeks
5mg USD 1,200.00 2 Weeks
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Synonym
Lexacalcitol; KH1060; KH-1060; KH 1060;
IUPAC/Chemical Name
(5Z,7E,20R)-20-((4-Ethyl-4-hydroxyhexyl)oxy)-9,10-secopregna-5,7,10(19)-triene-1alpha,3beta-diol
InChi Key
KLZOTDOJMRMLDX-GXOIKENLSA-N
InChi Code
InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24+,25-,26+,27-,28-/m1/s1
SMILES Code
C[C@@H](OCCCC(O)(CC)CC)[C@H]([C@]1(CCC/2)C)CC[C@@]1([H])C2=C\C=C3C[C@H](O)C[C@@H](O)C\3=C
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
>3 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
2934.99.03.00
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Lexacalcitol (KH1060), a vitamin D analog, is a potent regulator of cell growth and immune responses.
In vitro activity:
KH1060 was more effective than 1,25 D(3) in inhibiting cell growth and DNA synthesis. The IC-(50) (inhibition of 50% cell viability) indicated that KH1060 was about 10-20-fold more potent than 1,25 D(3). Moreover, KH1060 exerted potent antineoplastic activity by suppressing the clonal proliferation of the six NB cells. Reference: Cancer Lett. 2003 Feb 10;190(1):51-60. https://pubmed.ncbi.nlm.nih.gov/12536077/
In vivo activity:
KH 1060, the most potent analogue, inhibited interleukin-1-induced mouse thymocyte proliferation by 50% at 3 x 10(-16) M and allogeneic stimulation of mouse spleen lymphocytes at 5 x 10(15) M. Reference: Biochem Pharmacol. 1991 Sep 27;42(8):1569-75. https://pubmed.ncbi.nlm.nih.gov/1656990/
Solvent mg/mL mM comments
Solubility
DMSO 100.0 217.06
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 460.70 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:
1. Gumireddy K, Reddy GS, Ikegaki N, Binderup L, Sutton LN, Phillips PC, Reddy CD. Anti-proliferative effects of 20-epi-vitamin-D3 analogue, KH1060 in human neuroblastoma: induction of RAR-beta and p21(Cip1). Cancer Lett. 2003 Feb 10;190(1):51-60. doi: 10.1016/s0304-3835(02)00551-7. PMID: 12536077. 2. Shimizu T, Taira N, Senou M, Takeda K. Involvement of diverse protein kinase C isoforms in the differentiation of ML-1 human myeloblastic leukemia cells induced by the vitamin D3 analogue KH1060 and the phorbol ester TPA. Cancer Lett. 2002 Dec 1;186(1):67-74. doi: 10.1016/s0304-3835(02)00235-5. PMID: 12183077. 3. Binderup L, Latini S, Binderup E, Bretting C, Calverley M, Hansen K. 20-epi-vitamin D3 analogues: a novel class of potent regulators of cell growth and immune responses. Biochem Pharmacol. 1991 Sep 27;42(8):1569-75. doi: 10.1016/0006-2952(91)90426-6. PMID: 1656990. 4. Gniadecki R, Serup J, Gajkowska B. Disruption of the vertical calcium gradient in murine epidermis by a potent vitamin D3 analogue, KH 1060. Acta Derm Venereol. 1998 May;78(3):164-8. doi: 10.1080/000155598441440. PMID: 9602218.
In vitro protocol:
1. Gumireddy K, Reddy GS, Ikegaki N, Binderup L, Sutton LN, Phillips PC, Reddy CD. Anti-proliferative effects of 20-epi-vitamin-D3 analogue, KH1060 in human neuroblastoma: induction of RAR-beta and p21(Cip1). Cancer Lett. 2003 Feb 10;190(1):51-60. doi: 10.1016/s0304-3835(02)00551-7. PMID: 12536077. 2. Shimizu T, Taira N, Senou M, Takeda K. Involvement of diverse protein kinase C isoforms in the differentiation of ML-1 human myeloblastic leukemia cells induced by the vitamin D3 analogue KH1060 and the phorbol ester TPA. Cancer Lett. 2002 Dec 1;186(1):67-74. doi: 10.1016/s0304-3835(02)00235-5. PMID: 12183077.
In vivo protocol:
1. Binderup L, Latini S, Binderup E, Bretting C, Calverley M, Hansen K. 20-epi-vitamin D3 analogues: a novel class of potent regulators of cell growth and immune responses. Biochem Pharmacol. 1991 Sep 27;42(8):1569-75. doi: 10.1016/0006-2952(91)90426-6. PMID: 1656990. 2. Gniadecki R, Serup J, Gajkowska B. Disruption of the vertical calcium gradient in murine epidermis by a potent vitamin D3 analogue, KH 1060. Acta Derm Venereol. 1998 May;78(3):164-8. doi: 10.1080/000155598441440. PMID: 9602218.
1: Fullerton A, Serup J. Characterization of irritant patch test reactions to topical D vitamins and all-trans retinoic acid in comparison with sodium lauryl sulphate. Evaluation by clinical scoring and multiparametric non-invasive measuring techniques. Br J Dermatol. 1997 Aug;137(2):234-40. PubMed PMID: 9292072. 2: Dilworth FJ, Williams GR, Kissmeyer AM, Nielsen JL, Binderup E, Calverley MJ, Makin HL, Jones G. The vitamin D analog, KH1060, is rapidly degraded both in vivo and in vitro via several pathways: principal metabolites generated retain significant biological activity. Endocrinology. 1997 Dec;138(12):5485-96. PubMed PMID: 9389535.