Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: |A-L-fucosidase
CAS No.: 9037-65-4
Molecular formula: C189H218N36O29
Molecular weight: g/mol
SMILES: CN(CCCCCCN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCCCCCN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCOCCOCCOCCN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)C=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N
Structural class:
Other identifiers:

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2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 20ul ≥1.5 units/mg, ≥ 1u/ml 8000 2-8℃ in stock -
Kehua Intelligence 0.04U BR,1.8u/mg protein 11200 -20℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

7-[1-[4-[6-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]hexyl-methylamino]but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[1-[4-[2-[2-[2-[2-[3-(7-amino-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl-methylamino]but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[1-[4-[6-[3-(7-amino-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidin-1-yl]hexyl-methylamino]but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl-methylamino]prop-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide


4.2 InChI

InChI=1S/C50H61N9O9.C48H55N9O7.C48H57N9O6.C43H45N9O7/c1-55(25-27-65-29-31-67-32-30-66-28-26-57-44(61)17-16-42(50(57)64)58-33-39-38(49(58)63)9-5-10-40(39)51)22-6-11-43(60)56-23-19-34(20-24-56)41-18-21-53-48-45(47(52)62)46(54-59(41)48)35-12-14-37(15-13-35)68-36-7-3-2-4-8-36;1-53(26-7-2-3-8-28-55-40(59)21-20-38(47(55)62)56-46(61)35-13-9-14-36(49)41(35)48(56)63)27-10-15-39(58)54-29-23-31(24-30-54)37-22-25-51-45-42(44(50)60)43(52-57(37)45)32-16-18-34(19-17-32)64-33-11-5-4-6-12-33;1-53(26-7-2-3-8-28-55-42(59)21-20-40(48(55)62)56-31-37-36(47(56)61)13-9-14-38(37)49)27-10-15-41(58)54-29-23-32(24-30-54)39-22-25-51-46-43(45(50)60)44(52-57(39)46)33-16-18-35(19-17-33)63-34-11-5-4-6-12-34;1-49(25-21-45-31-9-5-8-30-36(31)43(58)51(42(30)57)33-14-15-34(53)47-41(33)56)22-19-35(54)50-23-17-26(18-24-50)32-16-20-46-40-37(39(44)55)38(48-52(32)40)27-10-12-29(13-11-27)59-28-6-3-2-4-7-28/h2-15,34,41-42,53H,16-33,51H2,1H3,(H2,52,62);4-6,9-19,31,37-38,51H,2-3,7-8,20-30,49H2,1H3,(H2,50,60);4-6,9-19,32,39-40,51H,2-3,7-8,20-31,49H2,1H3,(H2,50,60);2-13,19,22,26,32-33,45-46H,14-18,20-21,23-25H2,1H3,(H2,44,55)(H,47,53,56)


4.3 InChIKey

DJCUYIKKKRVJKE-UHFFFAOYSA-N


4.4 Canonical SMILES

CN(CCCCCCN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCCCCCN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCOCCOCCOCCN1C(=O)CCC(C1=O)N2CC3=C(C2=O)C=CC=C3N)CC=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N.CN(CCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)C=CC(=O)N4CCC(CC4)C5CCNC6=C(C(=NN56)C7=CC=C(C=C7)OC8=CC=CC=C8)C(=O)N


4.5 Isomeric SMILES

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4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --