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Elinzanetant

HCID 16063568
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
929046-33-3
표준 SMILES
Cc1cc(F)ccc1-c1cc(N2C[C@H]3COCCN3C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
DWRIJNIPBUFCQS-DQEYMECFSA-N
분자식
C33H35F7N4O3
평균 분자량
668.6 g/mol
단동위원소 질량
668.25973852

개요

Elinzanetant is a non-hormonal, selective, dual neurokinin 1 (NK-1) and 3 (NK-3) receptor antagonist. On July 23, 2025, it was approved by Health Canada to treat moderate to severe vasomotor symptoms (VMS) associated with menopause. By blocking receptor signaling on kisspeptin/neurokinin B/dynorphin (KNDy) neurons, which are hyperactivated due to estrogen decline in menopause, elinzanetant modulates neuronal activity involved in thermo-regulation. Later the same year, it was approved in the US for the same indication.

이름 및 식별자

우선 이름
Elinzanetant
IUPAC
N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide
영어명
Elinzanetant
분자식
C33H35F7N4O3
분자량
668.66

이름 및 동의어

Elinzanetant929046-33-3NT-814UNII-NZW2BOW35NBAY3427080NZW2BOW35NElinzanetant [INN]Elinzanetant [USAN]ELINZANETANT [WHO-DD]BAY-3427080N-[6-[(7S,9aS)-7-(hydroxymethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamideNT814
이름 더 보기
N-{6-[(7S,9aS)-7-(hydroxymethyl)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl}-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamideN-[4-(4-Fluoro-2-methylphenyl)-6-[(7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl]-N,α,α-trimethyl-3,5-bis(trifluoromethyl)benzeneacetamideNT 814IlinnatanElinzanetant, 10 mM in DMSOinhibit,BAY3427080,Elinzanetant,BAY-3427080,Inhibitor,Tachykinin receptor,NT-814,NT814,NK receptor,Neurokinin Receptor,NT 814,BAY 34270802-[3,5-bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]pyridin-3-yl}-N,2-dimethylpropanamide

물성

구조 계산 물성보충 중

XLogP
5.9
극성 표면적
69.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
13
회전 가능 결합 수
6
무거운 원자 수
47
형식 전하
0
복잡도
1,060

실험 및 물리화학적 성질

Human Drugs · 3건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

끓는 점
672.1 · 672.1±55.0 °C(Predicted)
밀도
1.4 · 1.40±0.1 g/cm3(Predicted)
저장 조건
-20 °C · Store at -20°C
용해도
100 mg/mL · DMSO : 100 mg/mL (149.56 mM; Need ultrasonic)
산도 계수 (pKa)
14.57 · 14.57±0.10(Predicted)
물리적 상태
Solid
색상
White to light yellow
InChIKey
DWRIJNIPBUFCQS-NCTSPAQWNA-N
SMILES
N(C1=CN=C(N2C[C@@]3([H])COCCN3C[C@H]2CO)C=C1C1C=CC(F)=CC=1C)(C)C(=O)C(C1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1)(C)C |&1:7,15,r|

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Hepatotoxicity · 1건

In preregistration clinical trials, serum ALT or AST elevations above 3 times the upper limit of normal (ULN) occurred in 0.6% of patients taking elinzanetant vs 0.4% of placebo recipients. The elevations were asymptomatic and transient, resolving promptly after stopping therapy and sometimes despite drug continuation. Nevertheless, the elevations appeared to be related to therapy and arose most frequently during the first few months of treatment. In the safety profiles of elinzanetant therapy in 713 women enrolled in 3 controlled trials, there were no instances of clinically apparent liver injury with jaundice. Nevertheless, the clinical experience with elinzanetant outside of controlled trials has been limited. Fezolinetant, the initial NK inhibitor approved for treatment of menopausal symptoms was found to cause rare instances of liver injury with jaundice within a year of its release. For these reasons the product label for elinzanetant recommends testing for routine liver tests before treatment, again at 3 months after starting the drug, and monitoring patients for symptoms of liver injury regularly throughout therapy.

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

ATC CodeG - Genito urinary system and sex hormones
Protein BindingThe plasma protein binding of elinzanetant is very high (99.7%). The blood-to-plasma ratio is between 0.6 and 0.7.
PharmacodynamicsIn postmenopausal women, elinzanetant caused a dose-dependent partial suppression of luteinizing hormone (LH). Elinzanetant was also shown to lower estradiol and luteal-phase progesterone levels in serum in a dose-dependent manner.
Mechanism of Action · 1건

Elinzanetant is a non-hormonal, selective, dual neurokinin 1 (NK-1) and 3 (NK-3) receptor antagonist indicated for the treatment of moderate to severe vasomotor symptoms (VMS) associated with menopause. Peptide neurotransmitters and neuropeptides, such as neurokinin A, Substance P, and neurokinin B (NKB), and kisspeptin, are involved in the regulation the neuroendocrine and reproductive function. During menopause, declining estrogen levels lead to hyperactivation of kisspeptin/NKB/dynorphin (KNDy) neurons in the brain, disrupting thermoregulation and causing VMS. Overexpression of neurokinin B and Substance P - a key endogenous ligand for NK1 receptors - in the hypothalamus of postmenopausal women was also reported. Substance P and NK1 receptor signalling has also been implicated in sleep disturbances and peripheral vasodilation in menopause. Elinzanetant blocks NK-1 and NK-3 receptor signalling on these KNDy neurons, modulating neuronal activity involved in thermoregulation. Elinzanetant exhibits high affinity for human NK-1 receptors (mean K value of 0.37 nM) and NK-3 receptors (mean K value of 3.0 nM).

Biological Half-LifeThe median half-life of elinzanetant is approximately 45 hours in patients with vasomotor symptoms.
Metabolism/Metabolites · 1건

Elinzanetant is primarily metabolized by CYP3A4 to yield three principal metabolites - M27, M30/34, and M18/21. These three metabolites are active and have comparable affinities for the human NK-1 and NK-3 receptors as elinzanetant. Elinzanetant covers 39% of the total exposure in human plasma, with all its metabolites expected to make up the rest.

공급사

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공개 문의

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관련 반응

6건
반응 기록 만들기
HRID 421264 반응식
HRID 421264생성물로uspto-grants-2012_01
HRID 421265 반응식
HRID 421265반응물로uspto-grants-2012_01
HRID 2074911 반응식
HRID 2074911생성물로uspto-grants-2011_04
HRID 2074912 반응식
HRID 2074912반응물로uspto-grants-2011_04
HRID 2245481 반응식
HRID 2245481생성물로uspto-grants-2010_03
HRID 2245482 반응식
HRID 2245482반응물로uspto-grants-2010_03

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Compound A [WO2021094247A1]Example 34 [WO2007028654A1]Compound A (WO2021094247A1)2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N-(4-(4-FLUORO-2-METHYLPHENYL)-6-((7S,9AS)-7-(HYDROXYMETHYL)HEXAHYDROPYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-3-PYRIDINYL)-N,2-DIMETHYLPROPANAMIDEBENZAMIDE, 3-(5-METHYL-2-TBENZENEACETAMIDE, N-(4-(4-FLUORO-2-METHYLPHENYL)-6-((7S,9AS)-HEXAHYDRO-7-(HYDROXYMETHYL)PYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)-Benzamide, 3-(5-methyl-2-tbenzeneacetamide, N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-hexahydro-7-(hydroxymethyl)pyrazino(2,1-C)(1,4)oxazin-8(1H)-yl)-3-pyridinyl)-N,alpha,alpha-trimethyl-3,5-bis(trifluoromethyl)-Example 34 (WO2007028654A1)2-[3,5-Bis(trifluoromethyl)phenyl]-N-{4-(4-fluoro-2-methylphenyl)-6-[(7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-3-pyridinyl}-N,2-dimethylpropanamide

데이터베이스 식별자

CAS
929046-33-3
PubChem CID
16063568
DTXSID
DTXSID101337049
ChEMBL
CHEMBL4802157
UNII
NZW2BOW35N
EC Number
629-865-8
Absorption, Distribution and Excretion · 4건

In healthy volunteers, elinzanetant Cmax and AUC increased in a greater than dose-proportional manner (20% to 50%) over the dose range from 40 to 160 mg once daily (0.33 to 1.33 times the recommended dose). Steady-state plasma concentrations of elinzanetant were reached 5 to 7 days after daily dosing, with modest (≤2 fold) accumulation. In patients with menopause and vasomotor symptoms who received 120 mg elinzanetant once daily, the mean [CV(%)] Cmax and AUC at steady-state were 1422.7 (34.8) µg/L and 8572.0 (46.7) h x µg/L, respectively. The Ctrough was 143.5 (81.3) µg/L. The median (range) time to reach elinzanetant Cmax is 1.0 (1 to 4) hour. The absolute bioavailability of elinzanetant is 52%. Administration of elinzanetant (120 mg) after a high-fat, high-calorie meal decreased AUC0-24h and Cmax by approximately 42% and 70%, respectively, compared with administration under fasted conditions. Tmax was delayed by about 1.5 h. The minimum effective steady state plasma concentrations (Ctrough) to ensure almost complete receptor-occupancy were not reduced by food intake.

Following oral administration of elinzanetant, approximately 90% of the dose was excreted with feces (mainly as metabolites) and less than 1% with urine.

The mean volume of distribution after intravenous administration at steady state (V<sub>ss</sub>) of elinzanetant is 137 L, indicating extensive extravascular distribution.

The clearance of elinzanetant after single intravenous dose is 8.77 L/h.