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기본 정보
- CAS
666842-36-0- 표준 SMILES
Cc1cc(OCCCNCCC(N)=O)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C- InChIKey
MDBARDSTXONTFS-MNDUUMEHSA-N- 분자식
- C26H40N4O8
- 평균 분자량
- 536.6 g/mol
- 단동위원소 질량
- 536.28461424
이름 및 식별자
- 우선 이름
- 3-(3-(4-(3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-ylmethyl)-3-methylphenoxy)propylamino)propionamide
- IUPAC
- 3-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide
- 영어명
- KGA2727
- 분자식
- C26H40N4O8
- 분자량
- 536.63
이름 및 동의어
3-(3-(4-(3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-ylmethyl)-3-methylphenoxy)propylamino)propionamideRefChem:910951KGA-2727666842-36-0CHEMBL51786653-((3-(4-((5-Isopropyl-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1H-pyrazol-4-yl)methyl)-3-methylphenoxy)propyl)amino)propanamide3-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamidePropanamide, 3-[[3-[4-[[3-(|A-D-glucopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl]methyl]-3-methylphenoxy]propyl]amino]-3-(3-{4-[3-(beta-D-glucopyranosyloxy)-5-isopropyl-1Hpyrazol-4-ylmethyl]-3-methylphenoxy}propylamino)propionamideorb1219288orb1308156SCHEMBL4187341
이름 더 보기
KGA2727KGA-2727, 10 mM in DMSOPropanamide, 3-[[3-[4-[[3-(β-D-glucopyranosyloxy)-5-(1-methylethyl)-1H-pyrazol-4-yl]methyl]-3-methylphenoxy]propyl]amino]-insulin,inhibit,Sodium-dependent glucose cotransporters,hyperglycemia,SGLT,antidiabetic,first,glucose,KGA 2727,KGA-2727,Inhibitor,SGLT1,KGA2727,orally
물성
구조 계산 물성보충 중
- XLogP
- 0.6
- 극성 표면적
- 192 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 719
물리화학적 성질
- 끓는 점
- 839.6 · 839.6±65.0 °C(Predicted)
- 밀도
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.65 · 12.65±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- White to yellow
화학 및 산업
공급사28 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海碧咸医药科技有限公司13816613772 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
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