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Chemistry

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Also known as: Bq-788, di(methyl-d)-, 2364572-10-9, D-norleucine, n-((cis-2,6-di(methyl-d)-1-piperidinyl)carbonyl)-4-methyl-l-leucyl-1-(methoxycarbonyl)-d-tryptophyl-, sodium salt, Unii-aay8r26vdx, Enb003, Enb-003 [who-dd]
Molecular Formula
C34H50N5NaO7
Molecular Weight
665.8  g/mol
InChI Key
QCVIFBRTTLMEOV-ZOHSNMQTSA-M
FDA UNII
AAY8R26VDX

ENB003
Endothelin B Receptor Blocker ENB 003 is an antagonist of the immune checkpoint endothelin B receptor (ETBR; EDNRB), with potential immunomodulating and antineoplastic activities. Upon administration, the ETBR blocker ENB 003 selectively targets and binds to ETBR expressed on tumor cells. This prevents ETBR-mediated signaling and may abrogate the immunosuppressive tumor microenvironment (TME), may enhance a T-cell mediated anti-tumor immune response and may inhibit proliferation of ETBR-expressing tumor cells. ETBR, a G-protein coupled receptor, is overexpressed in a variety of tumor cell types and plays a key role in tumor cell proliferation, invasion, epithelial-mesenchymal transition (EMT) and angiogenesis. It also plays a role in tumor immunosuppression and blocks T-cell trafficking.
1 2D Structure

ENB003

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-bis(deuteriomethyl)piperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate
2.1.2 InChI
InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1/i2D,3D;
2.1.3 InChI Key
QCVIFBRTTLMEOV-ZOHSNMQTSA-M
2.1.4 Canonical SMILES
CCCCC(C(=O)[O-])NC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+]
2.1.5 Isomeric SMILES
[2H]C[C@H]1CCC[C@H](N1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CC2=CN(C3=CC=CC=C32)C(=O)OC)C(=O)N[C@H](CCCC)C(=O)[O-])C[2H].[Na+]
2.2 Other Identifiers
2.2.1 UNII
AAY8R26VDX
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Bq-788, Di(methyl-d)-

2. 2364572-10-9

3. D-norleucine, N-((cis-2,6-di(methyl-d)-1-piperidinyl)carbonyl)-4-methyl-l-leucyl-1-(methoxycarbonyl)-d-tryptophyl-, Sodium Salt

4. Unii-aay8r26vdx

5. Enb003

6. Enb-003 [who-dd]

7. Enb-003

2.4 Create Date
2020-01-23
3 Chemical and Physical Properties
Molecular Weight 665.8 g/mol
Molecular Formula C34H50N5NaO7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass665.37334672 g/mol
Monoisotopic Mass665.37334672 g/mol
Topological Polar Surface Area162 Ų
Heavy Atom Count47
Formal Charge0
Complexity1080
Isotope Atom Count2
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

ABOUT THIS PAGE

ENB003 Manufacturers

A ENB003 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of ENB003, including repackagers and relabelers. The FDA regulates ENB003 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. ENB003 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

ENB003 Suppliers

A ENB003 supplier is an individual or a company that provides ENB003 active pharmaceutical ingredient (API) or ENB003 finished formulations upon request. The ENB003 suppliers may include ENB003 API manufacturers, exporters, distributors and traders.

ENB003 GMP

ENB003 Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of ENB003 GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right ENB003 GMP manufacturer or ENB003 GMP API supplier for your needs.

ENB003 CoA

A ENB003 CoA (Certificate of Analysis) is a formal document that attests to ENB003's compliance with ENB003 specifications and serves as a tool for batch-level quality control.

ENB003 CoA mostly includes findings from lab analyses of a specific batch. For each ENB003 CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

ENB003 may be tested according to a variety of international standards, such as European Pharmacopoeia (ENB003 EP), ENB003 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (ENB003 USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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