MLN120B HCl | CAS#1782573-78-7 | IκB Kinase β Inhibitor

MedKoo Cat#: 532254 | Name: MLN120B HCl

Description:

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

MLN-120B is a potent and effective inhibitor of IκB kinase beta subunit (IKKβ) with IC50 value of 20 μM. MLN-120B blocks multiple myeloma cell growth in vitro and in vivo.

Chemical Structure

MLN120B HCl

CAS#1782573-78-7 (2HCl)

Theoretical Analysis

MedKoo Cat#: 532254

Name: MLN120B HCl

CAS#: 1782573-78-7 (2HCl)

Chemical Formula: C19H17Cl3N4O2

Exact Mass: 0.0000

Molecular Weight: 439.72

Elemental Analysis: C, 51.90; H, 3.90; Cl, 24.19; N, 12.74; O, 7.28

Price and Availability

Size	Price	Availability
25mg	USD 450.00	2 Weeks
50mg	USD 750.00	2 Weeks
100mg	USD 1,350.00	2 Weeks
200mg	USD 2,250.00	2 Weeks
500mg	USD 3,850.00	2 Weeks
1g	USD 4,950.00	2 Weeks

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Related CAS #

1782573-78-7 (2HCl) 783348-36-7 (free base) 1350272-92-2 (HCl)

Synonym

MLN-120B; MLN120B; MLN 120B; MLN120B HCl; MLN120B hydrochloride

IUPAC/Chemical Name

N-{6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl}-2-methylpyridine-3-carboxamide dihydrochloride

InChi Key

AWKOVWFBTRXQLW-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H15ClN4O2.2ClH/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16;;/h3-9,23H,1-2H3,(H,24,25);2*1H

SMILES Code

O=C(C1=CC=CN=C1C)NC2=C(OC)C(Cl)=CC3=C2NC4=C3C=CN=C4.[H]Cl.[H]Cl

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

Product Data

Instruction

View handling instruction

Biological target:

MLN120B dihydrochloride (ML120B dihydrochloride) is a potent, ATP competitive, and orally active inhibitor of IKKβ with an IC50 of 60 nM.

In vitro activity:

MLN120B inhibits both baseline and tumor necrosis factor-alpha-induced nuclear factor-kappaB activation, associated with down-regulation of IkappaBalpha and p65 nuclear factor-kappaB phosphorylation. MLN120B triggers 25% to 90% growth inhibition in a dose-dependent fashion in multiple myeloma cell lines and significantly augments tumor necrosis factor-alpha-induced cytotoxicity in MM.1S cells. MLN120B augments growth inhibition triggered by doxorubicin and melphalan in both RPMI 8226 and IL-6-dependent INA6 cell lines. Reference: Clin Cancer Res. 2006 Oct 1;12(19):5887-94. https://pubmed.ncbi.nlm.nih.gov/17020997/

In vivo activity:

Polyarthritis was induced in rats by injection of Freund's complete adjuvant into the hind footpad. ML120B was administered orally twice daily, either prophylactically or therapeutically. Oral administration of ML120B inhibited paw swelling in a dose-dependent manner (median effective dosage 12 mg/kg twice daily) and offered significant protection against arthritis-induced weight loss as well as cartilage and bone erosion. This study was able to directly demonstrate that NF-kappaB activity in arthritic joints was reduced after ML120B administration. Reference: Arthritis Rheum. 2006 Oct;54(10):3163-73. https://pubmed.ncbi.nlm.nih.gov/17009244/

	Solvent	mg/mL	mM
Solubility
	DMSO	12.7	28.95
	Water	2.2	5.00

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 439.72 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

Formulation protocol:

1. Al-Katib A, Arnold AA, Aboukameel A, Sosin A, Smith P, Mohamed AN, Beck FW, Mohammad RM. I-kappa-kinase-2 (IKK-2) inhibition potentiates vincristine cytotoxicity in non-Hodgkin's lymphoma. Mol Cancer. 2010 Sep 1;9:228. doi: 10.1186/1476-4598-9-228. PMID: 20809973; PMCID: PMC2940845. 2. Hideshima T, Neri P, Tassone P, Yasui H, Ishitsuka K, Raje N, Chauhan D, Podar K, Mitsiades C, Dang L, Munshi N, Richardson P, Schenkein D, Anderson KC. MLN120B, a novel IkappaB kinase beta inhibitor, blocks multiple myeloma cell growth in vitro and in vivo. Clin Cancer Res. 2006 Oct 1;12(19):5887-94. doi: 10.1158/1078-0432.CCR-05-2501. PMID: 17020997. 3. Schopf L, Savinainen A, Anderson K, Kujawa J, DuPont M, Silva M, Siebert E, Chandra S, Morgan J, Gangurde P, Wen D, Lane J, Xu Y, Hepperle M, Harriman G, Ocain T, Jaffee B. IKKbeta inhibition protects against bone and cartilage destruction in a rat model of rheumatoid arthritis. Arthritis Rheum. 2006 Oct;54(10):3163-73. doi: 10.1002/art.22081. PMID: 17009244. 4. Nagashima K, Sasseville VG, Wen D, Bielecki A, Yang H, Simpson C, Grant E, Hepperle M, Harriman G, Jaffee B, Ocain T, Xu Y, Fraser CC. Rapid TNFR1-dependent lymphocyte depletion in vivo with a selective chemical inhibitor of IKKbeta. Blood. 2006 Jun 1;107(11):4266-73. doi: 10.1182/blood-2005-09-3852. Epub 2006 Jan 26. PMID: 16439676.

In vitro protocol:

In vivo protocol:

1. Schopf L, Savinainen A, Anderson K, Kujawa J, DuPont M, Silva M, Siebert E, Chandra S, Morgan J, Gangurde P, Wen D, Lane J, Xu Y, Hepperle M, Harriman G, Ocain T, Jaffee B. IKKbeta inhibition protects against bone and cartilage destruction in a rat model of rheumatoid arthritis. Arthritis Rheum. 2006 Oct;54(10):3163-73. doi: 10.1002/art.22081. PMID: 17009244. 2. Nagashima K, Sasseville VG, Wen D, Bielecki A, Yang H, Simpson C, Grant E, Hepperle M, Harriman G, Jaffee B, Ocain T, Xu Y, Fraser CC. Rapid TNFR1-dependent lymphocyte depletion in vivo with a selective chemical inhibitor of IKKbeta. Blood. 2006 Jun 1;107(11):4266-73. doi: 10.1182/blood-2005-09-3852. Epub 2006 Jan 26. PMID: 16439676.

1: Wen D, Nong Y, Morgan JG, Gangurde P, Bielecki A, Dasilva J, Keaveney M, Cheng H, Fraser C, Schopf L, Hepperle M, Harriman G, Jaffee BD, Ocain TD, Xu Y. A selective small molecule IkappaB Kinase beta inhibitor blocks nuclear factor kappaB-mediated inflammatory responses in human fibroblast-like synoviocytes, chondrocytes, and mast cells. J Pharmacol Exp Ther. 2006 Jun;317(3):989-1001. Epub 2006 Mar 8. PubMed PMID: 16525037. 2: Al-Katib A, Arnold AA, Aboukameel A, Sosin A, Smith P, Mohamed AN, Beck FW, Mohammad RM. I-kappa-kinase-2 (IKK-2) inhibition potentiates vincristine cytotoxicity in non-Hodgkin's lymphoma. Mol Cancer. 2010 Sep 1;9:228. doi: 10.1186/1476-4598-9-228. PubMed PMID: 20809973; PubMed Central PMCID: PMC2940845. 3: Izmailova ES, Paz N, Alencar H, Chun M, Schopf L, Hepperle M, Lane JH, Harriman G, Xu Y, Ocain T, Weissleder R, Mahmood U, Healy AM, Jaffee B. Use of molecular imaging to quantify response to IKK-2 inhibitor treatment in murine arthritis. Arthritis Rheum. 2007 Jan;56(1):117-28. PubMed PMID: 17195214. 4: Schopf L, Savinainen A, Anderson K, Kujawa J, DuPont M, Silva M, Siebert E, Chandra S, Morgan J, Gangurde P, Wen D, Lane J, Xu Y, Hepperle M, Harriman G, Ocain T, Jaffee B. IKKbeta inhibition protects against bone and cartilage destruction in a rat model of rheumatoid arthritis. Arthritis Rheum. 2006 Oct;54(10):3163-73. PubMed PMID: 17009244. 5: Nagashima K, Sasseville VG, Wen D, Bielecki A, Yang H, Simpson C, Grant E, Hepperle M, Harriman G, Jaffee B, Ocain T, Xu Y, Fraser CC. Rapid TNFR1-dependent lymphocyte depletion in vivo with a selective chemical inhibitor of IKKbeta. Blood. 2006 Jun 1;107(11):4266-73. Epub 2006 Jan 26. PubMed PMID: 16439676. 6: Newton R, Holden NS, Catley MC, Oyelusi W, Leigh R, Proud D, Barnes PJ. Repression of inflammatory gene expression in human pulmonary epithelial cells by small-molecule IkappaB kinase inhibitors. J Pharmacol Exp Ther. 2007 May;321(2):734-42. Epub 2007 Feb 22. PubMed PMID: 17322026. 7: Li J, Wang X, Zhang F, Yin H. Toll-like receptors as therapeutic targets for autoimmune connective tissue diseases. Pharmacol Ther. 2013 Jun;138(3):441-51. doi: 10.1016/j.pharmthera.2013.03.003. Epub 2013 Mar 24. Review. PubMed PMID: 23531543; PubMed Central PMCID: PMC3686650. 8: Catley MC, Sukkar MB, Chung KF, Jaffee B, Liao SM, Coyle AJ, Haddad el-B, Barnes PJ, Newton R. Validation of the anti-inflammatory properties of small-molecule IkappaB Kinase (IKK)-2 inhibitors by comparison with adenoviral-mediated delivery of dominant-negative IKK1 and IKK2 in human airways smooth muscle. Mol Pharmacol. 2006 Aug;70(2):697-705. Epub 2006 May 10. PubMed PMID: 16687566. 9: Lai CY, Su YW, Lin KI, Hsu LC, Chuang TH. Natural Modulators of Endosomal Toll-Like Receptor-Mediated Psoriatic Skin Inflammation. J Immunol Res. 2017;2017:7807313. doi: 10.1155/2017/7807313. Epub 2017 Aug 13. Review. PubMed PMID: 28894754; PubMed Central PMCID: PMC5574364.