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Chemistry

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Also known as: Chembl113436, (2,4-dimethylpyridin-3-yl)(4-methyl-4-((s)-3-methyl-4-((s)-1-(4-(trifluoromethyl)phenyl)ethyl)piperazin-1-yl)piperidin-1-yl)methanone, 306293-36-7, Sch 350581, Schembl4453513, Ad101
Molecular Formula
C28H37F3N4O
Molecular Weight
502.6  g/mol
InChI Key
DTKUANPECHGGBY-UNMCSNQZSA-N

AD101
1 2D Structure

AD101

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2,4-dimethylpyridin-3-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone
2.1.2 InChI
InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3/t20-,22-/m0/s1
2.1.3 InChI Key
DTKUANPECHGGBY-UNMCSNQZSA-N
2.1.4 Canonical SMILES
CC1CN(CCN1C(C)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(C=CN=C4C)C)C
2.1.5 Isomeric SMILES
C[C@H]1CN(CCN1[C@@H](C)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(C=CN=C4C)C)C
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Ad 101

2. Ad-101

3. Ad101 Cpd

4. Sch 350581

5. Sch 350581 Dihydrochloride

6. Sch-350581

7. Sch350581

2.2.2 Depositor-Supplied Synonyms

1. Chembl113436

2. (2,4-dimethylpyridin-3-yl)(4-methyl-4-((s)-3-methyl-4-((s)-1-(4-(trifluoromethyl)phenyl)ethyl)piperazin-1-yl)piperidin-1-yl)methanone

3. 306293-36-7

4. Sch 350581

5. Schembl4453513

6. Ad101

7. Ad-101

8. Bdbm50104946

9. (2,4-dimethylpyridin-3-yl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone

10. (2,4-dimethyl-3-pyridyl)-[4-methyl-4-[(3s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone

11. (2,4-dimethyl-pyridin-3-yl)-(4-methyl-4-{(s)-3-methyl-4-[(s)-1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone

12. Piperazine, 4-[1-[(2,4-dimethyl-3-pyridinyl)carbonyl]-4-methyl-4-piperidinyl]-2-methyl-1-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]-, (2s)-

2.3 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 502.6 g/mol
Molecular Formula C28H37F3N4O
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass502.29194630 g/mol
Monoisotopic Mass502.29194630 g/mol
Topological Polar Surface Area39.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

CCR5 Receptor Antagonists

Compounds and drugs that inhibit or block the activity of CCR5 RECEPTORS. (See all compounds classified as CCR5 Receptor Antagonists.)


ABOUT THIS PAGE

AD101 Manufacturers

A AD101 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of AD101, including repackagers and relabelers. The FDA regulates AD101 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. AD101 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

AD101 Suppliers

A AD101 supplier is an individual or a company that provides AD101 active pharmaceutical ingredient (API) or AD101 finished formulations upon request. The AD101 suppliers may include AD101 API manufacturers, exporters, distributors and traders.

AD101 GMP

AD101 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 AD101 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 AD101 GMP manufacturer or AD101 GMP API supplier for your needs.

AD101 CoA

A AD101 CoA (Certificate of Analysis) is a formal document that attests to AD101's compliance with AD101 specifications and serves as a tool for batch-level quality control.

AD101 CoA mostly includes findings from lab analyses of a specific batch. For each AD101 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.

AD101 may be tested according to a variety of international standards, such as European Pharmacopoeia (AD101 EP), AD101 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (AD101 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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