ROC-325 | CAS#1859141-26-6 | autophagy inhibitor

MedKoo Cat#: 407432 | Name: ROC-325

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Description:

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

ROC-325 is an autophagy inhibitor. ROC-325 exhibited superior in vitro anticancer effects compared with the existing autophagy inhibitor hydroxychloroquine (HCQ) in 12 different cancer cell lines with diverse genetic backgrounds. ROC-325 antagonized RCC growth and survival in an ATG5/7-dependent manner, induced apoptosis, and exhibited favorable selectivity.

Chemical Structure

ROC-325

CAS#1859141-26-6

Theoretical Analysis

MedKoo Cat#: 407432

Name: ROC-325

CAS#: 1859141-26-6

Chemical Formula: C28H27ClN4OS

Exact Mass: 502.1594

Molecular Weight: 503.06

Elemental Analysis: C, 66.85; H, 5.41; Cl, 7.05; N, 11.14; O, 3.18; S, 6.37

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 450.00	2 Weeks

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Related CAS #

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Synonym

ROC-325; ROC 325; ROC325.

IUPAC/Chemical Name

1-((2-((2-((7-chloroquinolin-4-yl)amino)ethyl)(methyl)amino)ethyl)amino)-4-methyl-9H-thioxanthen-9-one

InChi Key

HXUYKEGAEIYPKY-UHFFFAOYSA-N

InChi Code

InChI=1S/C28H27ClN4OS/c1-18-7-10-23(26-27(34)21-5-3-4-6-25(21)35-28(18)26)32-14-16-33(2)15-13-31-22-11-12-30-24-17-19(29)8-9-20(22)24/h3-12,17,32H,13-16H2,1-2H3,(H,30,31)

SMILES Code

O=C1C2=C(C(C)=CC=C2NCCN(C)CCNC3=C(C=CC(Cl)=C4)C4=NC=C3)SC5=CC=CC=C51

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:

ROC-325 diminishes AML cell viability with the IC50 range of 0.7-2.2 μM.

In vitro activity:

ROC-325 inhibited the proliferation of RPMI 8226, RPMI 8226-BTZ100, U266 and IM9 cells in a dose-dependent manner (r=-0.8275, r=-0.9079, r=-0.9422, r=-0.9305), the 72 h IC50 values were 2.795, 4.020, 5.432 and 4.755 μmol/L, respectively. ROC-325 can inhibit the proliferation, induce the apoptosis of myeloma cells through the mitochondrial pathway, inhibit the autophagy of myeloma cells, and overcome bortezomib resistance by the combination of ROC-325 with bortezomib. Reference: Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2021 Jun;29(3):797-804. Chinese. https://pubmed.ncbi.nlm.nih.gov/34105475/

In vivo activity:

In a pulmonary hypertenstion rat model, ROC-325 treatment prevented the development of PH, right ventricular hypertrophy, fibrosis, dysfunction, and vascular remodeling after monocrotaline and Sugen5416/hypoxia administration. These data indicate that ROC-325 is a promising novel agent for the treatment of pulmonary hypertension. Reference: Hypertension. 2023 Jan;80(1):70-83. https://pubmed.ncbi.nlm.nih.gov/36345832/

	Solvent	mg/mL	mM	comments
Solubility
	DMSO	3.0	5.96

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 503.06 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. Shi MY, Yao Y, Deng J, Yuan CL, Liu HM, Li ZY. [The Inhibiting Effect of Autophagy Inhibitor ROC-325 on Multiple Myeloma]. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2021 Jun;29(3):797-804. Chinese. doi: 10.19746/j.cnki.issn.1009-2137.2021.03.023. PMID: 34105475. 2. Carew JS, Espitia CM, Zhao W, Han Y, Visconte V, Phillips J, Nawrocki ST. Disruption of Autophagic Degradation with ROC-325 Antagonizes Renal Cell Carcinoma Pathogenesis. Clin Cancer Res. 2017 Jun 1;23(11):2869-2879. doi: 10.1158/1078-0432.CCR-16-1742. Epub 2016 Nov 23. PMID: 27881580; PMCID: PMC5593077. 3. Bao C, Liang S, Han Y, Yang Z, Liu S, Sun Y, Zheng S, Li Y, Wang T, Gu Y, Wu K, Black SM, Wang J, Nawrocki ST, Carew JS, Yuan JX, Tang H. The Novel Lysosomal Autophagy Inhibitor (ROC-325) Ameliorates Experimental Pulmonary Hypertension. Hypertension. 2023 Jan;80(1):70-83. doi: 10.1161/HYPERTENSIONAHA.122.19397. Epub 2022 Nov 8. PMID: 36345832. 4. Wang Y, Zhang CX, Ge SL, Gong WH. CTBP1‑AS2 inhibits proliferation and induces autophagy in ox‑LDL‑stimulated vascular smooth muscle cells by regulating miR‑195‑5p/ATG14. Int J Mol Med. 2020 Aug;46(2):839-848. doi: 10.3892/ijmm.2020.4624. Epub 2020 Jun 2. PMID: 32626936.

In vitro protocol:

In vivo protocol:

1. Bao C, Liang S, Han Y, Yang Z, Liu S, Sun Y, Zheng S, Li Y, Wang T, Gu Y, Wu K, Black SM, Wang J, Nawrocki ST, Carew JS, Yuan JX, Tang H. The Novel Lysosomal Autophagy Inhibitor (ROC-325) Ameliorates Experimental Pulmonary Hypertension. Hypertension. 2023 Jan;80(1):70-83. doi: 10.1161/HYPERTENSIONAHA.122.19397. Epub 2022 Nov 8. PMID: 36345832. 2. Wang Y, Zhang CX, Ge SL, Gong WH. CTBP1‑AS2 inhibits proliferation and induces autophagy in ox‑LDL‑stimulated vascular smooth muscle cells by regulating miR‑195‑5p/ATG14. Int J Mol Med. 2020 Aug;46(2):839-848. doi: 10.3892/ijmm.2020.4624. Epub 2020 Jun 2. PMID: 32626936.

1: Carew JS, Nawrocki ST. Drain the lysosome: Development of the novel orally available autophagy inhibitor ROC-325. Autophagy. 2017 Apr 3;13(4):765-766. doi: 10.1080/15548627.2017.1280222. Epub 2017 Jan 24. PubMed PMID: 28118053. 2: Carew JS, Espitia CM, Zhao W, Han Y, Visconte V, Phillips J, Nawrocki ST. Disruption of Autophagic Degradation with ROC-325 Antagonizes Renal Cell Carcinoma Pathogenesis. Clin Cancer Res. 2016 Nov 23. doi: 10.1158/1078-0432.CCR-16-1742. [Epub ahead of print] PubMed PMID: 27881580.