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3-(3-(4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl carbamimidothioate methanesulfonate

HCID 11628205
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
138489-18-6
Standard SMILES
CS(=O)(=O)O.Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIKey
SAWVGDJBSPLRRB-UHFFFAOYSA-N
Molecular formula
C26H27N5O5S2
Average molar mass
553.7 g/mol
Monoisotopic mass
553.14536133

Names & identifiers

Preferred name
3-(3-(4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl carbamimidothioate methanesulfonate
IUPAC
methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
English name
RO-31-8220
Molecular formula
C25H23N5O2S
Molecular weight
457.55

Names & synonyms

Ro 31-8220 mesylate138489-18-6Bisindolylmaleimide IX mesylateMFCD03788207Ro 31-8220 (mesylate)3-(3-(4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl carbamimidothioate methanesulfonateCarbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, methanesulfonate (1:1)Bisindolylmaleimide IX methansulfonateRO31-8220 mesylatemethanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioateCHEMBL15915313-{1-[3-(Amidinothio)Propyl]-3-Indolyl}-4-(1-Methyl-3-Indolyl)-1H-Pyrrole-2,5-Dione Methanesulfonate
Show more names
CS-1132RO-31-8220Ro31-8220MsOHRo 31-8220 MesylatRo 31-8220/Ro318220RO-31-8220 USP/EP/BPRo-31-8220 in solutionRo 31-8220 Mesylate, 10 mM in DMSOBISINDOLYLMALEIMIDE IX, METHANESULFONATE
Ro-31-8220 mesylateBMK1-D9Ro 31-8220 mesylate?3JPC9J3C82orb1300591Ro-31-8220 methanesulfonateSCHEMBL2491726SCHEMBL29381390

Database identifiers

CAS
138489-18-6
PubChem CID
11628205
DTXSID
DTXSID00896763
ChEMBL
CHEMBL1591531
UNII
3JPC9J3C82

Properties

Computed structural propertiesFilling in

Topological polar surface area
194 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Formal charge
0
Complexity
937

Physicochemical properties

storage temp.
2 · 2-8°C
solubility
52.77 · DMSO:52.77(Max Conc. mg/mL);95.31(Max Conc. mM)DMF:25.0(Max Conc. mg/mL);45.15(Max Conc. mM)DMF:PBS (pH 7.2) (1:9):0.1(Max Conc. mg/mL);0.18(Max Conc. mM)Ethanol:2.77(Max Conc. mg/mL);5.0(Max Conc. mM)
form
Red solid
color
Red
biological source
synthetic (organic)
Water Solubility
1 mg/mLDMSO: · water: 1mg/mLDMSO: 100mg/mL
InChIKey
SAWVGDJBSPLRRB-UHFFFAOYSA-N
SMILES
CS(O)(=O)=O.Cn1cc(C2=C(C(=O)NC2=O)c3cn(CCCSC(N)=N)c4ccccc34)c5ccccc15
FDA UNII
3 JPC9J3C82 · 3JPC9J3C82
UNSPSC Code
12352202 · 12352202
NACRES
77 · NA.77
PPE
95 · Eyeshields, Gloves, type N95 (US)
WGK Germany
3 · WGK 3
HS Code
2933790090 · 2933790090
Storage Class
11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
WGK 3
hs_code
2933790090
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications · 3 items

DescriptionRo 31-8220 mesylate is a potent PKC inhibitor, inhibits PKCα, PKCβI, PKCβII, PKCγ, PKCε and rat brain PKC with IC50 values of 5, 24, 14, 27, 24 and 23 nM, also inhibits MAPKAP -K1b, MSK1, S6K1 and GSK3β with IC50 of 3, 8, 15, 38 nM.

UsesRo 31-8220 Mesylate is a protein kinase C (PKC) inhibitor.

General DescriptionRo 31-8220 is a bisindolylmaleimide derivative of staurosporine. Ro 31-8220 blocks MAP kinase phosphatase-1 (MKP-1) expression, induces c-Jun expression and stimulates Jun N-terminal Kinase (JNK1). It has immunosuppressive properties.

Suppliers85 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海波以尔化工有限公司[email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
ChemeGen 中国18818260767 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海泽涵生物医药科技有限公司021-61350663 13052117465 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海东苍生物科技有限公司+86-21-58447131 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海百生跃生物科技有限公司4000880777 17585207275 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
Target molecule Corp.857-239-0968 · [email protected]
上海珀法姆医药科技有限公司+86 18721201413 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Cckinase, Inc.+1 (732)236-3202 · [email protected]
常州美泰生物科技有限公司0519-83246372 13585352506

Related reactions

2 records
New reaction record
HRID 345701 reaction equation
HRID 345701As productuspto-grants-1991_10
HRID 1421188 reaction equation
HRID 1421188As productuspto-grants-2000_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes