Name: Relugolix - Moligand™, ≥98% , Gonadotropin-releasing hormone receptor antagonist, CAS No.737789-87-6, Gonadotropin-releasing hormone receptor antagonist
SKU: R413337
Availability: InStock

Relugolix - Moligand™, ≥98% , Gonadotropin-releasing hormone receptor antagonist, CAS No.737789-87-6, Gonadotropin-releasing hormone receptor antagonist

CAS: 737789-87-6 Cat. No.: R413337 분자식: C₂₉H₂₇F₂N₇O₅S 분자량: 623.63 EC 번호: 864-997-1 PubChem CID: 10348973

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Relugolix - Moligand™, ≥98% CAS No(737789-87-6) by Aladdin Scientific

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주문 가능

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

BDBM50347982 | BCP21587 | Q21099000 | RELUGOLIX [WHO-DD] | UNII-P76B05O5V6 | s5808 | 1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea | GTPL5586 | 1-(4-{1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요 Specifications 제품 특성 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

Relugolix Relugolix (RVT-601, TAK-385) is a selective antagonist of the gonadotropin-releasing hormone receptor (GnRHR) with IC50 of 0.33 nM and 0.32 nM for human GnRHR and monkey GnRHR, respectively.

Targets

monkey GnRHR (Cell-free assay); human GnRHR (Cell-free assay) 0.32 nM; 0.33 nM

In vitro

Relugolix (TAK-385) possesses higher affinity and potent antagonistic activity for human (binding IC50=0.33 nM in the presence of serum) and monkey GnRH receptor (IC50=0.32 nM), but has low affinity for the rat GnRH receptor (IC50=9800 nM).

In vivo

TAK-385 acts as an antagonist for human GnRH receptor in vivo and daily oral administration potently, continuously and reversibly suppresses the hypothalamic-pituitary-gonadal axis.

Specifications

동의어

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Relugolix (RVT-601, TAK-385) is a selective antagonist of the gonadotropin-releasing hormone receptor (GnRHR) with IC50 of 0.33 nM and 0.32 nM for human GnRHR and monkey GnRHR, respectively.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Gonadotropin-releasing hormone receptor antagonist

순수함

≥98%

제품 특성

ALogP

4.623

HBD 수

회전 가능한 결합

이름과 식별자

Pubchem Sid

504765408

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765408

정식 스마일

CN(C)CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=C(C=CC=C3F)F)C4=NN=C(C=C4)OC)C5=CC=C(C=C5)NC(=O)NOC

IUPAC Name

1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea

InChIKey

AOMXMOCNKJTRQP-UHFFFAOYSA-N

INCHI

1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)

이성체 SMILES

CN(C)CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=C(C=CC=C3F)F)C4=NN=C(C=C4)OC)C5=CC=C(C=C5)NC(=O)NOC

PubChem CID

10348973

분자량

623.63

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 분류 Benzene and substituted derivatives
    - Subclass N-phenylureas

Kingdom	Organic compounds
Superclass	Benzenoids
분류	Benzene and substituted derivatives
Subclass	N-phenylureas
Intermediate Tree Nodes	Not available
Direct Parent	N-phenylureas
Alternative Parents	Thienopyrimidines Pyrimidones Alkyl aryl ethers Aralkylamines Fluorobenzenes Pyridazines and derivatives Aryl fluorides Vinylogous amides Thiophenes Heteroaromatic compounds Ureas Trialkylamines Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-phenylurea - Thienopyrimidine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl fluoride - Aryl halide - Pyridazine - Pyrimidine - Thiophene - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Urea - Tertiary aliphatic amine - Lactam - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

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리뷰

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Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

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Lot Number	Certificate Type	날짜	항목
H2218534	Certificate of Analysis	Jun 09, 2025	R413337
H2218535	Certificate of Analysis	Jun 09, 2025	R413337
H2218536	Certificate of Analysis	Jun 09, 2025	R413337
H2218756	Certificate of Analysis	Jun 09, 2025	R413337

용해성	Solubility (25°C) In vitro DMSO: 61 mg/mL (97.81 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg/mL) 최대 용해도	61
DMSO(mM) 최대 용해도	97.8144091849334
물(mg/mL) 최대 용해도	＜1
분자량	623.600 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	9
Exact Mass	623.176 Da
Monoisotopic Mass	623.176 Da
Topological Polar Surface Area	157.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1010.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1